Crystallography Open Database

Information card for entry 1552870

Preview

Coordinates	1552870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H33 Au Cl N P2
Calculated formula	C28 H33 Au Cl N P2
SMILES	[Au]([P](C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1)(C(C)(C)C)C(C)(C)C)Cl
Title of publication	Mono- and Diylide-substituted Phosphines (YPhos): Impact of the Ligand Properties on the Catalytic Activity in Gold(I)-Catalysed Hydroaminations
Authors of publication	Schwarz, Christopher; Handelmann, Jens; Baier, Daniel M.; Ouissa, Alina; Gessner, Viktoria H.
Journal of publication	Catalysis Science & Technology
Year of publication	2019
a	11.78322 ± 0.00018 Å
b	9.40736 ± 0.00013 Å
c	24.667 ± 0.0004 Å
α	90°
β	102.482 ± 0.0016°
γ	90°
Cell volume	2669.68 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0234
Residual factor for significantly intense reflections	0.0216
Weighted residual factors for significantly intense reflections	0.055
Weighted residual factors for all reflections included in the refinement	0.0563
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
227739 (current)	2019-11-14	cif/ Adding structures of 1552866, 1552867, 1552868, 1552869, 1552870, 1552871, 1552872, 1552873, 1552874, 1552875 via cif-deposit CGI script.	1552870.cif