Crystallography Open Database

Information card for entry 4107092

Preview

Coordinates	4107092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H63 F24 O2 P2 Rh
Calculated formula	C67 H63 F24 O2 P2 Rh
Title of publication	Chiral Allene-Containing Phosphines in Asymmetric Catalysis
Authors of publication	Feng Cai; Xiaotao Pu; Xiangbing Qi; Vincent Lynch; Akella Radha; Joseph M. Ready
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	18066 - 18069
a	14.586 ± 0.002 Å
b	14.058 ± 0.002 Å
c	16.988 ± 0.002 Å
α	90°
β	102.1 ± 0.04°
γ	90°
Cell volume	3406 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0877
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.1397
Weighted residual factors for all reflections included in the refinement	0.1463
Goodness-of-fit parameter for all reflections included in the refinement	1.201
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178816 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/70.	4107092.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107092.cif
54743	2012-04-29	cif/ Adding structures of 4107092 via cif-deposit CGI script.	4107092.cif