Crystallography Open Database

Information card for entry 7122528

Preview

Coordinates	7122528.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Chloro[(4S)-2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-5,5-dimethyl-4-(1-methylethyl)-oxazole]gold(I)
Formula	C52 H54 Au2 Cl2 N2 O2 P2
Calculated formula	C52 H56 Au2 Cl2 N2 O2 P2
Title of publication	Mechanistic and asymmetric investigations of the Au-catalysed cross-coupling between aryldiazonium salts and arylboronic acids using (P,N) gold complexes.
Authors of publication	Tabey, Alexis; Berlande, Murielle; Hermange, Philippe; Fouquet, Eric
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	91
Pages of publication	12867 - 12870
a	11.0336 ± 0.0006 Å
b	14.8166 ± 0.0008 Å
c	15.2675 ± 0.0008 Å
α	90°
β	96.44 ± 0.001°
γ	90°
Cell volume	2480.2 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0232
Residual factor for significantly intense reflections	0.0188
Weighted residual factors for significantly intense reflections	0.0379
Weighted residual factors for all reflections included in the refinement	0.0391
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
228469 (current)	2019-11-17	cif/ Updating files of 7122528 Original log message: Adding full bibliography for 7122528.cif.	7122528.cif
211706	2018-10-31	cif/ Adding structures of 7122528 via cif-deposit CGI script.	7122528.cif