Crystallography Open Database

Information card for entry 4034130

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Structure parameters

Formula	C22 H27 O P
Calculated formula	C22 H27 O P
SMILES	P1(Oc2c(c3c1cccc3)cccc2)[C@H]1[C@@H](CC[C@H](C1)C)C(C)C
Title of publication	Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.
Authors of publication	Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	13
Pages of publication	8423 - 8439
a	13.5362 ± 0.0011 Å
b	13.5362 ± 0.0011 Å
c	10.578 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1938.2 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	78
Hermann-Mauguin space group symbol	P 43
Hall space group symbol	P 4cw
Residual factor for all reflections	0.078
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1312
Weighted residual factors for all reflections included in the refinement	0.1537
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
301828 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure.	4034130.cif
222688	2019-11-04	cif/ Adding structures of 4034130 via cif-deposit CGI script.	4034130.cif