Crystallography Open Database

Information card for entry 1571410

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Coordinates	1571410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H29 P S
Calculated formula	C39 H29 P S
Title of publication	Palladium-catalyzed regio- and stereo-selective phosphination of cyclic biarylsulfonium salts to access atropoisomeric phosphines.
Authors of publication	Sun, Jinghui; Yan, Yifei; Chen, Xuanxuan; Huang, Zhiwei; Huang, Yinhua
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	18
Pages of publication	6943 - 6948
a	11.039 ± 0.0006 Å
b	15.1879 ± 0.0008 Å
c	16.0708 ± 0.0007 Å
α	112.211 ± 0.002°
β	104.135 ± 0.002°
γ	103.663 ± 0.002°
Cell volume	2251.2 ± 0.2 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0591
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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