Crystallography Open Database

Information card for entry 4132890

Preview

Coordinates	4132890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H48 Cl N O2 P Rh
Calculated formula	C44 H48 Cl N O2 P Rh
SMILES	[Rh]123([P]4(N([C@H](c5ccccc5)C)[C@H](c5ccccc5)C)Oc5cccc6c5C57[C@H](C6)CCC[C@H]5Cc5c7c(O4)ccc5)(Cl)[CH]4CC[CH]1=[CH]2CC[CH]3=4
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	16.751 ± 0.0018 Å
b	18.5377 ± 0.0019 Å
c	11.9955 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3724.9 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0912
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
242763 (current)	2019-11-26	cif/ Adding structures of 4132890 via cif-deposit CGI script.	4132890.cif