Crystallography Open Database

Information card for entry 4132891

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Structure parameters

Formula	C28 H24
Calculated formula	C28 H24
SMILES	c12ccccc1cc1c(c2)C23[C@H](C1)CCC[C@H]2Cc1c3cc2c(c1)cccc2
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	9.9333 ± 0.0009 Å
b	11.0826 ± 0.001 Å
c	17.7523 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	1954.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
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	0.0568
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.1024
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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.	4132891.cif
242764	2019-11-26	cif/ Adding structures of 4132891 via cif-deposit CGI script.	4132891.cif