Crystallography Open Database

Information card for entry 1503753

Preview

Coordinates	1503753.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 Cl N3 O Rh
Calculated formula	C20 H19 Cl N3 O Rh
SMILES	[Rh]1(=C2N(C=CN2C)C(=[N]1c1c(cccc1C)C)c1ccccc1)(Cl)C#[O]
Title of publication	Highly cis-selective cyclopropanations with ethyl diazoacetate using a novel Rh(I) catalyst with a chelating N-heterocyclic iminocarbene ligand.
Authors of publication	Rosenberg, Marianne Lenes; Krivokapic, Alexander; Tilset, Mats
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	3
Pages of publication	547 - 550
a	10.3952 ± 0.001 Å
b	10.8758 ± 0.0011 Å
c	16.4618 ± 0.0016 Å
α	90°
β	93.302 ± 0.001°
γ	90°
Cell volume	1858 ± 0.3 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for all reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0311
Weighted residual factors for all reflections included in the refinement	0.0296
Goodness-of-fit parameter for all reflections included in the refinement	1.0973
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1503753.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503753.cif
39046	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503753 via cif-deposit CGI script.	1503753.cif