Crystallography Open Database

Information card for entry 4314665

Preview

Coordinates	4314665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 Cl2 O2 P2 Pd
Calculated formula	C30 H30 Cl2 O2 P2 Pd
SMILES	[Pd]1(Cl)(Cl)[P](c2ccccc2)(c2ccccc2)[C@H](CC(=O)OC)CC[P]1(c1ccccc1)c1ccccc1
Title of publication	Asymmetric Synthesis of Functionalized 1,3-Diphosphines via Chiral Palladium Complex Promoted Hydrophosphination of Activated Olefins
Authors of publication	Mingjun Yuan; Na Zhang; Sumod A. Pullarkat; Yongxin Li; Fengli Liu; Phuong-Tu Pham; Pak-Hing Leung
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	989 - 996
a	8.6202 ± 0.0003 Å
b	10.7327 ± 0.0004 Å
c	16.3388 ± 0.0006 Å
α	96.552 ± 0.002°
β	99.248 ± 0.002°
γ	106.096 ± 0.002°
Cell volume	1413.29 ± 0.09 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1372
Weighted residual factors for all reflections included in the refinement	0.1534
Goodness-of-fit parameter for all reflections included in the refinement	1.148
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
179224 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/46.	4314665.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314665.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314665.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4314665.cif
7808	2011-02-02	../uploads/cif-deposit/cod/cif Adding structures of 4314665 via cif-deposit CGI script.	4314665.cif