Crystallography Open Database

Information card for entry 7711024

Preview

Coordinates	7711024.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H31 Cl N2 O3 Ru S
Calculated formula	C28 H31 Cl N2 O3 Ru S
SMILES	[Ru]123456(Cl)(N(S(=O)(=O)c7occc7)[C@H]([C@@H]([NH2]1)c1ccccc1)c1ccccc1)[c]1([cH]3[cH]6[c]5([cH]4[cH]21)C)C(C)C
Title of publication	Heterocycle-containing Noyori-Ikariya Catalysts for Asymmetric Transfer Hydrogenation of Ketones
Authors of publication	Khamis, Noha; Clarkson, Guy James; Wills, Martin
Journal of publication	Dalton Transactions
Year of publication	2022
a	12.0383 ± 0.0001 Å
b	12.8861 ± 0.0001 Å
c	18.521 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	2873.1 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0202
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.0514
Weighted residual factors for all reflections included in the refinement	0.0517
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277329 (current)	2022-08-20	cif/ Adding structures of 7711021, 7711022, 7711023, 7711024, 7711025 via cif-deposit CGI script.	7711024.cif