Crystallography Open Database

Information card for entry 4104071

Preview

Coordinates	4104071.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tris((2'-phenylcarboxy-1,1'-(S)binaphthalen-2-yl)-oxy)phosphine dichloromethane solute
Formula	C82 H53 Cl2 O9 P
Calculated formula	C81 H51 Cl1.995 O9 P
Title of publication	Helical Triskelion Monophosphites as Ligands in Asymmetric Catalysis
Authors of publication	Manfred T. Reetz; Hongchao Guo; Jun-An Ma; Richard Goddard; Richard J. Mynott
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	4136 - 4142
a	20.6143 ± 0.0002 Å
b	20.6143 ± 0.0002 Å
c	17.9025 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	6588.42 ± 0.14 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0966
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.1671
Weighted residual factors for all reflections included in the refinement	0.1784
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
178786 (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 4/10/40.	4104071.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104071.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104071.cif
28578	2011-10-29	../uploads/cif-deposit/cod/cif Adding structures of 4104071 via cif-deposit CGI script.	4104071.cif