Crystallography Open Database

Information card for entry 7160541

Preview

Coordinates	7160541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H10 Cl O3 P
Calculated formula	C8 H10 Cl O3 P
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	15.522 ± 0.001 Å
b	5.6987 ± 0.0004 Å
c	26.8 ± 0.003 Å
α	90°
β	94.618 ± 0.01°
γ	90°
Cell volume	2362.9 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.228
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	0.866
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
299608 (current)	2025-05-10	cif/ Adding structures of 7160541, 7160542, 7160543 via cif-deposit CGI script.	7160541.cif