Crystallography Open Database

Information card for entry 1571408

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Coordinates	1571408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H44 F6 O7 S4
Calculated formula	C59 H44 F6 O7 S4
Title of publication	Palladium-Catalyzed Regio- and Stereoselective 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
a	23.6038 ± 0.0016 Å
b	12.3774 ± 0.0009 Å
c	17.1095 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4998.6 ± 0.6 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1018
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1613
Weighted residual factors for all reflections included in the refinement	0.1835
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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