Crystallography Open Database

Information card for entry 7157421

Preview

Coordinates	7157421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 O2 P2
Calculated formula	C38 H42 O2 P2
Title of publication	Stereoselective preparation of P,axial-stereogenic allenyl bisphosphine oxides via chirality-transfer.
Authors of publication	Qiu, Mao-Ran; Zheng, Hong-Xing; Ye, Jing-Jing; Yan, Bing-Xia; Zhao, Chang-Qiu; Li, Qiang
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	16
Pages of publication	3017 - 3021
a	13.2801 ± 0.0012 Å
b	14.3298 ± 0.0013 Å
c	17.9616 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	3418.1 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
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	0.0952
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
251719 (current)	2020-05-05	cif/ Updating files of 7157420, 7157421, 7157422 Original log message: Adding full bibliography for 7157420--7157422.cif.	7157421.cif
249728	2020-03-26	cif/ Adding structures of 7157420, 7157421, 7157422 via cif-deposit CGI script.	7157421.cif