Crystallography Open Database

Information card for entry 1502564

Preview

Coordinates	1502564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H104 Cl2 N2 O2 P2 Pd2
Calculated formula	C84 H80 Cl2 N2 O2 P2 Pd2
Title of publication	Direct synthesis of chiral tertiary diphosphines via Pd(II)-catalyzed asymmetric hydrophosphination of dienones.
Authors of publication	Huang, Yinhua; Chew, Renta Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	21
Pages of publication	5862 - 5865
a	39.8657 ± 0.0012 Å
b	39.8657 ± 0.0012 Å
c	38.2114 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	60728 ± 3 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	7
Space group number	97
Hermann-Mauguin space group symbol	I 4 2 2
Hall space group symbol	I 4 2
Residual factor for all reflections	0.0891
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.1648
Weighted residual factors for all reflections included in the refinement	0.1752
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1502564.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502564.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1502564.cif
35853	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1502564 via cif-deposit CGI script.	1502564.cif