Crystallography Open Database

Information card for entry 4508924

Preview

Coordinates	4508924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H44 N4 O8
Calculated formula	C56 H44 N4 O8
Title of publication	Searching for Unknown Polymorphs by “Quenched Nucleation”: Studies on the Polymorphism ofN-(1-Naphthyl) Succinimide
Authors of publication	Li, Hexian; Yang, Hailong; Wang, Ying; Yuan, Wei; Wang, Lin; Wang, Guochang
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	9
Pages of publication	3817
a	12.656 ± 0.002 Å
b	13.494 ± 0.003 Å
c	14.753 ± 0.003 Å
α	70.937 ± 0.009°
β	70.642 ± 0.009°
γ	82.643 ± 0.012°
Cell volume	2246.2 ± 0.8 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1206
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.1663
Weighted residual factors for all reflections included in the refinement	0.1974
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179625 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/89.	4508924.cif
97013	2014-01-29	cif/ Adding structures of 4508924 via cif-deposit CGI script.	4508924.cif