Crystallography Open Database

Information card for entry 2241349

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Structure parameters

Chemical name	5,5'-Bis(dimethylamino)-<i>N</i>,<i>N</i>'-(3-methyl-3-azapentane-1,5-diyl)di(naphthalene-1-sulfonamide)
Formula	C29 H37 N5 O4 S2
Calculated formula	C29 H37 N5 O4 S2
Title of publication	Crystal structure of 5,5'-bis(dimethylamino)-<i>N</i>,<i>N</i>'-(3-methyl-3-azapentane-1,5-diyl)di(naphthalene-1-sulfonamide)
Authors of publication	Horne, Toyketa V.; Haque, Syed A.; Barton, Adrianne; Hossain, Md. Alamgir
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	12
Pages of publication	o959 - o960
a	10.5216 ± 0.0005 Å
b	11.3826 ± 0.0005 Å
c	13.9579 ± 0.0006 Å
α	107.898 ± 0.0007°
β	90.3662 ± 0.0008°
γ	113.733 ± 0.0007°
Cell volume	1439.9 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1132
Weighted residual factors for all reflections included in the refinement	0.1219
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181914 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13.	2241349.cif 2241349.hkl
170466	2015-11-22	cif/ hkl/ Adding structures of 2241349 via cif-deposit CGI script.	2241349.cif 2241349.hkl