Crystallography Open Database

Information card for entry 1505381

Preview

Coordinates	1505381.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H35 N3 O2 S
Calculated formula	C28 H35 N3 O2 S
SMILES	S(=O)(=O)(/N=C1/N(/C(=N/C2CCCCC2)C1c1ccccc1)C1CCCCC1)c1ccc(cc1)C
Title of publication	Copper-catalyzed highly efficient multicomponent reactions: synthesis of 2-(sulfonylimino)-4-(alkylimino)azetidine derivatives.
Authors of publication	Xu, Xiaoliang; Cheng, Dongping; Li, Jinghua; Guo, Hongyun; Yan, Jie
Journal of publication	Organic letters
Year of publication	2007
Journal volume	9
Journal issue	8
Pages of publication	1585 - 1587
a	17.22 ± 0.003 Å
b	11.154 ± 0.002 Å
c	27.154 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	5215.5 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.1173
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1505381.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505381.cif
45559	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505381 via cif-deposit CGI script.	1505381.cif