Crystallography Open Database

Information card for entry 1567341

Preview

Coordinates	1567341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H34 Au Cl N2 O
Calculated formula	C21 H34 Au Cl N2 O
SMILES	[Au](Cl)=C1N(CCN1[C@H](CO)C(C)(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Chiral oxazolidines acting as transient hydroxyalkyl-functionalized N-heterocyclic carbenes: an efficient route to air stable copper and gold complexes for asymmetric catalysis
Authors of publication	Pichon-Barré, Delphine; Zhang, Ziyun; Cador, Aël; Vives, Thomas; Roisnel, Thierry; Baslé, Olivier; Jarrige, Lucie; Cavallo, Luigi; Falivene, Laura; Mauduit, Marc
Journal of publication	Chemical Science
Year of publication	2022
a	9.7764 ± 0.0012 Å
b	14.6129 ± 0.0018 Å
c	16.587 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2369.6 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
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	0.0785
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1215
Weighted residual factors for all reflections included in the refinement	0.1361
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
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
276810 (current)	2022-07-23	cif/ Adding structures of 1567339, 1567340, 1567341 via cif-deposit CGI script.	1567341.cif