Crystallography Open Database

Information card for entry 7225034

Preview

Coordinates	7225034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H96 N8 O27 V8
Calculated formula	C35 H96 N8 O27 V8
SMILES	[V]123(=O)([O]([V]456([O]17[V]189(=O)[O]([V]%10%11(=O)([O]61[V]16([O]8%12[V]7(=O)([O]([V]%127(=O)(O8)[NH2][C@@H]9[C@@H]([NH2]7)CCCC8)C)([O]41[V]1(=O)([O]6C)(O5)[NH2][C@@H]4[C@@H]([NH2]1)CCCC4)O2)(=O)O%10)[NH2][C@@H]1CCCC[C@H]1[NH2]%11)C)=O)C)[NH2][C@H]1[C@H]([NH2]3)CCCC1.OC.OC.OC.OC.OC.OC.OC
Title of publication	Asymmetric Catalytic Sulfoxidation by a Novel VIV8 Cluster Catalyst in the Presence of Serum Albumin: A Simple and Green Oxidation System
Authors of publication	Tang, Jie; Yao, Peng-Fei; Xu, Xiao-Ling; Li, Hai-Ye; Huang, Fu-Ping; Nie, Qing-Qing; Luo, Mei-Yi; Yu, Qing; Bian, He-Dong
Journal of publication	RSC Adv.
Year of publication	2016
a	14.1442 ± 0.0011 Å
b	14.91 ± 0.0011 Å
c	16.0774 ± 0.0013 Å
α	117.151 ± 0.008°
β	92.303 ± 0.006°
γ	91.772 ± 0.006°
Cell volume	3009.9 ± 0.5 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1446
Weighted residual factors for all reflections included in the refinement	0.1568
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
182399 (current)	2016-04-29	cif/ Adding structures of 7225034 via cif-deposit CGI script.	7225034.cif