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Xian-You Yuan

Bio: Xian-You Yuan is an academic researcher from Hunan University of Science and Engineering. The author has contributed to research in topics: Crystal structure & Carboxylic acid. The author has an hindex of 5, co-authored 42 publications receiving 76 citations.

Papers
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Journal ArticleDOI
TL;DR: In this paper, the triclinic trichloriconic P1̄ (C14H20O4) was used for trichlinic triangulation.
Abstract: Abstract C14H20O4, triclinic, P1̄, a = 6.1028(13) Å, b = 10.885(2) Å, c = 20.737(4) Å, α = 100.673(2)°, β = 92.465(2)°, γ = 98.973(2)°, V = 1333.5(5) Å3, Z = 4, Rgt(F) = 0.0431, wRref(F2) = 0.1225, T = 296(2) K.

1 citations

Journal ArticleDOI
TL;DR: The title compound, C25H26O2, crystallizes with two crystallographically independent molecules in the asymmetric unit and the differences between the two molecules are marginal.
Abstract: The title compound, C25H26O2, crystallizes with two crystallographically independent mol­ecules in the asymmetric unit. The differences between the two mol­ecules are marginal. The three benzene rings of each mol­ecule are in a propeller orientation and the 1,3-dioxane ring adopts a chair conformation.

1 citations

Journal ArticleDOI
TL;DR: In this article, a monoclinic C2/c (no. 15), a = 32.300(3) Å, b = 7.2653(6)Å, c = 10.4316(10) ǫ, β = 102.133(5)°, V =2393.
Abstract: Abstract C14H16N2, monoclinic, C2/c (no. 15), a = 32.300(3) Å, b = 7.2653(6) Å, c = 10.4316(10) Å, β = 102.133(5)°, V =2393.3(4) Å3, Z = 8, Rgt(F) = 0.0464, wRref(F2) = 0.1411, T = 296(2) K.

1 citations

Journal ArticleDOI
TL;DR: In this paper, the orthorhombic orthogonality was used for orthogonal homophily in orthographic orthographies and orthogono-photonics.
Abstract: C17H13BrN2, orthorhombic, Pbca (no. 61), a = 9.995(4) Å, b = 13.845(5) Å, c = 20.213(7) Å, V = 2797.2(18) Å3, Z = 8, Rgt(F) = 0.0304, wRref(F2) = 0.0784, T = 296(2) K.

1 citations

Journal ArticleDOI
TL;DR: In this paper, the orthorhombic Pnma of a = 11.371(11) Å, b = 12.144(12)Å, c = 11., V = 1618(3) À3, Z = 4, Rgt(F) = 0.0443, wRref(F2) =0.1373, T = 296(2) K.
Abstract: Abstract C20H17N3, orthorhombic, Pnma, a = 11.371(11) Å, b = 12.144(12) Å, c = 11.718(11) Å, V = 1618(3) Å3, Z = 4, Rgt(F) = 0.0443, wRref(F2) = 0.1373, T = 296(2) K.

1 citations


Cited by
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Journal ArticleDOI
10 Mar 1970

8,159 citations

Journal ArticleDOI
TL;DR: The accuracy of a dispersion-corrected density functional theory method is validated against 241 experimental organic crystal structures from Acta Cryst.
Abstract: This paper describes the validation of a dispersion-corrected density functional theory (d-DFT) method for the purpose of assessing the correctness of experimental organic crystal structures and enhancing the information content of purely experimental data. 241 experimental organic crystal structures from the August 2008 issue of Acta Cryst. Section E were energy-minimized in full, including unit-cell parameters. The differences between the experimental and the minimized crystal structures were subjected to statistical analysis. The r.m.s. Cartesian displacement excluding H atoms upon energy minimization with flexible unit-cell parameters is selected as a pertinent indicator of the correctness of a crystal structure. All 241 experimental crystal structures are reproduced very well: the average r.m.s. Cartesian displacement for the 241 crystal structures, including 16 disordered structures, is only 0.095 A (0.084 A for the 225 ordered structures). R.m.s. Cartesian displacements above 0.25 A either indicate incorrect experimental crystal structures or reveal interesting structural features such as exceptionally large temperature effects, incorrectly modelled disorder or symmetry breaking H atoms. After validation, the method is applied to nine examples that are known to be ambiguous or subtly incorrect.

159 citations

Book
01 Jan 2013
TL;DR: The history of the Church at Leiper's Fork, now known as Hillsboro, TN, has been discussed in this article, where it is suggested that it would be encouraging to the congregation if its history would be kept fresh in the minds of its members.
Abstract: There are very few people who have lived the allotted time but have an interesting biography, and there are very few congregations but have a very profitable history. The church at Leiper’s Fork, now known as Hillsboro, TN, has a most interesting history. There are few, if any, who know the history of their congregation. It seems that it would be encouraging to the congregation if its history would be kept fresh in the minds of its members.

47 citations

Journal ArticleDOI
TL;DR: NMR titration and comparative NMR data indicate a relatively higher coordination affinity of Cd(II) toward the macrocycle than occurs for Hg(II), in parallel to the situation observed in the solid state.
Abstract: Homo- and heteronuclear group 12 metal (Zn2+, Cd2+, and Hg2+) complexes 1–6 containing a newly designed 18-membered N2O2S2 macrocycle incorporating two pyridine subunits (L) were prepared and structurally characterized. The individual complexes isolated exhibit unusual stoichiometries, geometries, oxidation states, and structural topologies and include an infinite mercurous complex and a heteronuclear dumbbell-shaped complex. Both the Zn(II) complex [Zn(L)][ZnBr4] (1) and the Cd(II) complex [Cd(L)Br2] (2) are mononuclear, with the metal ion located inside the macrocyclic cavity. The six-coordinated Zn(II) center in 1 adopts an octahedral geometry and is shielded from the anion and solvent by the strongly bound macrocycle. The Cd(II) center in 2 is seven-coordinate, being bound equatorially to two N donors, two O donors, and a S donor from the macrocycle and axially to two bromide ions on opposite sides of the macrocyclic plane, adopting a pentagonal-bipyramidal geometry. In the Hg(II) complexations, the c...

15 citations

Journal ArticleDOI
TL;DR: Stability of the molecule arising from hyper conjugative interaction and charge transfer delocalization has been analyzed using natural bond orbital (NBO) analysis and electrophilic and nucleophilic descriptors of the title molecule have been calculated.

13 citations