Crystallography Open Database

Information card for entry 4087891

Preview

Coordinates	4087891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H23 Cl4 O P Pt S
Calculated formula	C21 H23 Cl4 O P Pt S
SMILES	[Pt]1(Cl)(Cl)[P@]2([C@H]3[C@H](C[C@@H]2C(=C3C)C)[S@]1(c1ccccc1)=O)c1ccccc1.C(Cl)Cl
Title of publication	Metal Effects on the Asymmetric Cycloaddition Reaction between 3,4-Dimethyl-1-phenylphosphole and Sulfoxide
Authors of publication	Ma, Mengtao; Zhang, Na; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	20
Pages of publication	5081
a	10.2265 ± 0.0005 Å
b	14.4513 ± 0.0007 Å
c	16.0003 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2364.62 ± 0.19 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	7
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	0.0186
Residual factor for significantly intense reflections	0.016
Weighted residual factors for significantly intense reflections	0.0428
Weighted residual factors for all reflections included in the refinement	0.057
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
237092 (current)	2019-11-24	cif/ Adding structures of 4087891 via cif-deposit CGI script.	4087891.cif