Crystallography Open Database

Information card for entry 7112825

Preview

Coordinates	7112825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H41 Cl3 P2 S
Calculated formula	C21 H41 Cl3 P2 S
Title of publication	Design and synthesis of a novel three-hindered quadrant bisphosphine ligand and its application in asymmetric hydrogenation
Authors of publication	Huang, Kexuan; Zhang, Xiaowei; Emge, Thomas J.; Hou, Guohua; Cao, Bonan; Zhang, Xumu
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2010
Journal volume	46
Journal issue	45
Pages of publication	8555 - 8557
a	8.4109 ± 0.0005 Å
b	15.8263 ± 0.001 Å
c	39.84 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5303.2 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1296
Weighted residual factors for all reflections included in the refinement	0.1324
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7105685
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
210745 (current)	2018-09-10	cif/7/ Updating bibliography in entries 7105685, 7112825. Marking entry 7112825 as a duplicate of entry 7105685.	7112825.cif
180242	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28.	7112825.cif
112109	2014-04-29	cif/ Adding structures of 7112825 via cif-deposit CGI script.	7112825.cif