Crystallography Open Database

Information card for entry 4507280

Preview

Coordinates	4507280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20.5 H15 N O3 S
Calculated formula	C20.5 H15 N O3 S
Title of publication	Pseudopolymorphism and Polymorphic Transition Behavior ofN-(4′-Methoxyphenyl)-2-naphthalenesulfonamide
Authors of publication	Sakai, Takahiro; Katagiri, Kosuke; Uemura, Yuki; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	1
Pages of publication	308
a	10.8561 ± 0.001 Å
b	6.3533 ± 0.0006 Å
c	26.403 ± 0.003 Å
α	90°
β	98.229 ± 0.001°
γ	90°
Cell volume	1802.3 ± 0.3 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0705
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1513
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4507280.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507280.cif
73886	2013-02-21	cif/ Adding structures of 4507280 via cif-deposit CGI script.	4507280.cif