Crystallography Open Database

Information card for entry 7160542

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Coordinates	7160542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H29 O3 P
Calculated formula	C18 H29 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	8.9119 ± 0.0008 Å
b	11.3949 ± 0.0007 Å
c	18.615 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1890.4 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 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	0.1853
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0619
Weighted residual factors for all reflections included in the refinement	0.0779
Goodness-of-fit parameter for all reflections included in the refinement	0.652
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.	7160542.cif