Crystallography Open Database

Information card for entry 7151026

Preview

Coordinates	7151026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H29 N O6 S
Calculated formula	C24 H29 N O6 S
Title of publication	Organocatalytic asymmetric ring-opening of aziridines
Authors of publication	Paixão, Márcio W.; Nielsen, Martin; Jacobsen, Christian Borch; Jørgensen, Karl Anker
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2008
Journal volume	6
Journal issue	19
Pages of publication	3467 - 3470
a	5.7683 ± 0.0002 Å
b	9.0468 ± 0.0003 Å
c	43.5087 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2270.49 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0604
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1296
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation probe	x-ray
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
180296 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/10.	7151026.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151026.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151026.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7151026.cif