Crystallography Open Database

Information card for entry 7157420

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Coordinates	7157420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H40 O2 P2
Calculated formula	C37 H40 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	12.9764 ± 0.0011 Å
b	14.3781 ± 0.0012 Å
c	17.5765 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	3279.4 ± 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	0.0836
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1025
Weighted residual factors for all reflections included in the refinement	0.1121
Goodness-of-fit parameter for all reflections included in the refinement	0.954
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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