Crystallography Open Database

Information card for entry 7246764

Preview

Coordinates	7246764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H38 Cl O3 P
Calculated formula	C31 H38 Cl O3 P
SMILES	[P@](=O)(O[C@H]1[C@H](C(C)C)CC[C@H](C1)C)(c1ccccc1)[C@](c1ccc(Cl)cc1)(Cc1ccccc1)CO
Title of publication	Tandem addition of nucleophilic and electrophilic reagents to vinyl phosphinates: the stereoselective formation of organophosphorus compounds with congested tertiary carbons
Authors of publication	Lin, Zhu; Zhai, De-Hua; Sun, Yong-Ming; Zheng, Hong-Xing; Li, Qiang; Wang, Yan-Lan; Wen, Jing-Hong; Zhao, Chang-Qiu
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	21
Pages of publication	14060 - 14064
a	6.5468 ± 0.0007 Å
b	16.2047 ± 0.0016 Å
c	27.749 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2943.9 ± 0.5 Å³
Cell temperature	298.15 K
Ambient diffraction temperature	298.15 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	0.1602
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.1692
Weighted residual factors for all reflections included in the refinement	0.2052
Goodness-of-fit parameter for all reflections included in the refinement	0.874
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
283672 (current)	2023-05-11	cif/ Adding structures of 7246764, 7246765, 7246766 via cif-deposit CGI script.	7246764.cif