Crystallography Open Database

Information card for entry 1552875

Preview

Coordinates	1552875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H92 Cl10 N4 P6
Calculated formula	C97 H92 Cl10 N4 P6
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	10.2673 ± 0.0011 Å
b	12.11 ± 0.002 Å
c	19.82 ± 0.002 Å
α	103.947 ± 0.012°
β	99.881 ± 0.009°
γ	100.687 ± 0.011°
Cell volume	2289 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1552875.cif