Crystallography Open Database

Information card for entry 4070983

Preview

Coordinates	4070983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H27 Cr N O7
Calculated formula	C30 H27 Cr N O7
SMILES	[Cr](=C(c1c(ccc(c1)C(=O)O[C@@H](C)c1cccc2ccccc12)C(C)C)N(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Enantiomerically Pure Axially Chiral Aminocarbene Complexes of Chromium
Authors of publication	Meca, Luděk; Císařová, Ivana; Drahoňovský, Dušan; Dvořák, Dalimil
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	8
Pages of publication	1850
a	7.8806 ± 0.0001 Å
b	11.5719 ± 0.0002 Å
c	30.8273 ± 0.0005 Å
α	90°
β	92.077 ± 0.0009°
γ	90°
Cell volume	2809.4 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0835
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
178598 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/09.	4070983.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070983.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070983.cif
42952	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070983, 4070984 via cif-deposit CGI script.	4070983.cif