Crystallography Open Database

Information card for entry 7160543

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Coordinates	7160543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H55 B Cl9 F4 N O4 P Rh S
Calculated formula	C51 H55 B Cl9 F4 N O4 P Rh S
Title of publication	Rhodium-catalyzed enantioselective hydrogenation of (1-arylvinyl)phosphonates with TADDOL-based phosphoramidite P,S ligands
Authors of publication	Zimarev, Vladislav; Firsin, Ilya D.; Larin, Alexander Vladimirovich; Tafeenko, Viktor; Bondarenko, Grigorii N.; Chuchelkin, Ilya; Gavrilov, Vladislav; Gavrilov, Konstantin; Goulioukina, Nataliya Sergeevna; Beletskaya, Irina P.
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2025
a	16.8778 ± 0.0008 Å
b	16.9391 ± 0.0008 Å
c	20.303 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	5804.5 ± 0.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 K
Number of distinct elements	10
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	0.2525
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.145
Goodness-of-fit parameter for all reflections included in the refinement	0.77
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
299608 (current)	2025-05-10	cif/ Adding structures of 7160541, 7160542, 7160543 via cif-deposit CGI script.	7160543.cif