Crystallography Open Database

Information card for entry 2241122

Preview

Coordinates	2241122.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2-[5-(Dimethylamino)naphthalene-1-sulfonamido]phenyl 5-(dimethylamino)naphthalene-1-sulfonate
Formula	C30 H29 N3 O5 S2
Calculated formula	C30 H29 N3 O5 S2
Title of publication	The crystal structure of 2-[5-(dimethylamino)naphthalene-1-sulfonamido]phenyl 5-(dimethylamino)naphthalene-1-sulfonate
Authors of publication	Chainok, Kittipong; Duangthongyou, Tanwawan; Tuntulani, Thawatchai; Chuenka, Apinya; Wannalerse, Boontana
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	10
Pages of publication	o721 - o722
a	12.7594 ± 0.0013 Å
b	13.3481 ± 0.0014 Å
c	16.4331 ± 0.0017 Å
α	90°
β	98.349 ± 0.004°
γ	90°
Cell volume	2769.1 ± 0.5 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.088
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.1131
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
158373 (current)	2015-09-26	cif/ hkl/ Adding structures of 2241122 via cif-deposit CGI script.	2241122.cif