Crystallography Open Database

Information card for entry 4110265

Preview

Coordinates	4110265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 Br N O
Calculated formula	C22 H20 Br N O
Title of publication	Enantioselective Construction of Quaternary Stereogenic Carbons by the Lewis Base Catalyzed Additions of Silyl Ketene Imines to Aldehydes
Authors of publication	Scott E. Denmark; Tyler W. Wilson; Matthew T. Burk; John R. Heemstra
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	14864 - 14865
a	5.955 ± 0.003 Å
b	11.936 ± 0.007 Å
c	27.882 ± 0.015 Å
α	90°
β	90°
γ	90°
Cell volume	1981.8 ± 1.9 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0701
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0642
Weighted residual factors for all reflections included in the refinement	0.0702
Goodness-of-fit parameter for all reflections included in the refinement	0.894
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4110265.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110265.cif
59221	2012-06-05	cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters.	4110265.cif
59116	2012-06-03	smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif	4110265.cif