Crystallography Open Database

Information card for entry 1507377

Preview

Coordinates	1507377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 N2 O4 S2
Calculated formula	C20 H20 N2 O4 S2
SMILES	S(=O)(=O)(N(c1c(N(S(=O)(=O)c2ccccc2)C)cccc1)C)c1ccccc1
Title of publication	Absolute helical arrangement of sulfonamide in the crystal.
Authors of publication	Azumaya, Isao; Kato, Takako; Okamoto, Iwao; Yamasaki, Ryu; Tanatani, Aya; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Takayanagi, Hiroaki
Journal of publication	Organic letters
Year of publication	2003
Journal volume	5
Journal issue	21
Pages of publication	3939 - 3942
a	8.475 ± 0.001 Å
b	8.475 ± 0.001 Å
c	27.185 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1952.6 ± 0.3 Å³
Cell temperature	296.2 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for all reflections included in the refinement	0.062
Goodness-of-fit parameter for all reflections included in the refinement	1.186
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
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.	1507377.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507377.cif
53871	2012-04-20	cif/ Adding structures of 1507377 via cif-deposit CGI script.	1507377.cif