Crystallography Open Database

Information card for entry 4067307

Preview

Coordinates	4067307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H46 Cl N O6 P2 Pd
Calculated formula	C44 H46 Cl N O6 P2 Pd
Title of publication	Palladium Template Promoted Asymmetric Synthesis of 1,2-Diphosphines by Hydrophosphination of Functionalized Allenes
Authors of publication	Huang, Yinhua; Pullarkat, Sumod A.; Yuan, Mingjun; Ding, Yi; Li, Yongxin; Leung, Pak-Hing
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	3
Pages of publication	536
a	8.6173 ± 0.0002 Å
b	21.5832 ± 0.0006 Å
c	21.7076 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4037.37 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.1151
Goodness-of-fit parameter for all reflections included in the refinement	1.15
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
178564 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/73.	4067307.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067307.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067307.cif
34154	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067307, 4067308, 4067309, 4067310 via cif-deposit CGI script.	4067307.cif