Crystallography Open Database

Information card for entry 7246766

Preview

Coordinates	7246766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H38 Cl O2 P
Calculated formula	C27 H38 Cl O2 P
SMILES	[P@@](=O)(O[C@H]1[C@H](C(C)C)CC[C@H](C1)C)([C@@H](CC(C)C)c1ccc(Cl)cc1)c1ccccc1
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	12.7102 ± 0.0011 Å
b	5.9519 ± 0.0005 Å
c	18.9788 ± 0.0018 Å
α	90°
β	99.214 ± 0.002°
γ	90°
Cell volume	1417.2 ± 0.2 Å³
Cell temperature	298.15 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1743
Residual factor for significantly intense reflections	0.1149
Weighted residual factors for significantly intense reflections	0.2925
Weighted residual factors for all reflections included in the refinement	0.3311
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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.	7246766.cif