Crystallography Open Database

Information card for entry 4132886

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Structure parameters

Formula	C22 H24 N O2 P
Calculated formula	C22 H24 N O2 P
SMILES	P1(N(C)C)Oc2cccc3c2C24[C@H](C3)CCC[C@H]2Cc2c4c(O1)ccc2
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	11.4166 ± 0.0014 Å
b	11.8782 ± 0.0015 Å
c	13.8141 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	1873.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0481
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1037
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
301835 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure.	4132886.cif
242759	2019-11-26	cif/ Adding structures of 4132886 via cif-deposit CGI script.	4132886.cif