Crystallography Open Database

Information card for entry 4087889

Preview

Coordinates	4087889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H37 Cl N O5 P Pt S
Calculated formula	C34 H37 Cl N O5 P Pt S
SMILES	[Pt]12(c3ccc4ccccc4c3[C@@H](C)[N]1(C)C)[P@]1(c3ccccc3)[C@H]3C(=C(C)[C@@H]1[C@H](C3)[S@]2(c1ccccc1)=O)C.Cl(=O)(=O)(=O)[O-]
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	9.9305 ± 0.0002 Å
b	14.6373 ± 0.0003 Å
c	22.0322 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3202.51 ± 0.12 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	8
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	0.0265
Residual factor for significantly intense reflections	0.0216
Weighted residual factors for significantly intense reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.0709
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
237089 (current)	2019-11-24	cif/ Adding structures of 4087889 via cif-deposit CGI script.	4087889.cif