Crystallography Open Database

Information card for entry 4105349

Preview

Coordinates	4105349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 N O4
Calculated formula	C17 H15 N O4
SMILES	O=N(=O)[C@@]1([C@@H](C1)c1ccccc1)C(=O)c1ccc(OC)cc1
Title of publication	Experimental Evidence for the All-Up Reactive Conformation of Chiral Rhodium(II) Carboxylate Catalysts: Enantioselective Synthesis of cis-Cyclopropane α-Amino Acids
Authors of publication	Vincent N. G. Lindsay; Wei Lin; André B. Charette
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	16383 - 16385
a	8.1895 ± 0.0014 Å
b	5.7464 ± 0.0009 Å
c	16.269 ± 0.003 Å
α	90°
β	97.801 ± 0.005°
γ	90°
Cell volume	758.5 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0914
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1166
Weighted residual factors for all reflections included in the refinement	0.1303
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178799 (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 4/10/53.	4105349.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105349.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105349.cif
30544	2011-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4105349 via cif-deposit CGI script.	4105349.cif