Crystallography Open Database

Information card for entry 4102031

4102030 << 4102031 >> 4102032

Preview

Coordinates	4102031.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	RajanBabu 1754
Formula	C29 H30 Cl2 Co P2
Calculated formula	C29 H30 Cl2 Co P2
SMILES	[Co]1(Cl)(Cl)[P]([C@H](C[C@@H]([P]1(c1ccccc1)c1ccccc1)C)C)(c1ccccc1)c1ccccc1
Title of publication	Asymmetric Hydrovinylation of Unactivated Linear 1,3-Dienes
Authors of publication	Rakesh K. Sharma; T. V. RajanBabu
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	3295 - 3297
a	8.6413 ± 0.0001 Å
b	17.5979 ± 0.0002 Å
c	18.4606 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2807.28 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0461
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0565
Weighted residual factors for all reflections included in the refinement	0.0609
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
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
178766 (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 4/10/20.	4102031.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4102031.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102031.cif
24853	2011-09-08	../uploads/cif-deposit/cod/cif Adding structures of 4102031 via cif-deposit CGI script.	4102031.cif