Crystallography Open Database

Information card for entry 1507000

Preview

Coordinates	1507000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H33 N2 O2.5 S
Calculated formula	C22 H32 N2 O2.4405 S
Title of publication	Samarium diiodide-induced asymmetric synthesis of optically pure unsymmetrical vicinal diamines by reductive cross-coupling of nitrones with N-tert-butanesulfinyl imines.
Authors of publication	Zhong, Yu-Wu; Xu, Ming-Hua; Lin, Guo-Qiang
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	22
Pages of publication	3953 - 3956
a	8.9324 ± 0.0008 Å
b	18.4511 ± 0.0016 Å
c	14.0752 ± 0.0012 Å
α	90°
β	92.582 ± 0.002°
γ	90°
Cell volume	2317.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1232
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1309
Weighted residual factors for all reflections included in the refinement	0.1845
Goodness-of-fit parameter for all reflections included in the refinement	0.888
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.	1507000.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507000.cif
51597	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507000 via cif-deposit CGI script.	1507000.cif