Crystallography Open Database

Information card for entry 4132889

Preview

Coordinates	4132889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 Au Cl N O2 P
Calculated formula	C36 H36 Au Cl N O2 P
SMILES	[Au]([P]1(N([C@@H](c2ccccc2)C)[C@@H](c2ccccc2)C)Oc2cccc3c2C24[C@H](C3)CCC[C@H]2Cc2c4c(O1)ccc2)Cl
Title of publication	Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.
Authors of publication	Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	32
Pages of publication	10374 - 10381
a	9.8789 ± 0.0007 Å
b	16.8273 ± 0.0011 Å
c	18.6928 ± 0.0012 Å
α	90°
β	92.193 ± 0.001°
γ	90°
Cell volume	3105.1 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0296
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.0565
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
242762 (current)	2019-11-26	cif/ Adding structures of 4132889 via cif-deposit CGI script.	4132889.cif