Crystallography Open Database

Information card for entry 4513716

Preview

Coordinates	4513716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H50 N2 O10
Calculated formula	C26 H50 N2 O10
Title of publication	Packing Interactions and Physicochemical Properties of Novel Multicomponent Crystal Forms of the Anti-Inflammatory Azelaic Acid Studied by X-ray and Solid-State NMR
Authors of publication	Martins, Inês C. B.; Sardo, Mariana; Santos, Sérgio M.; Fernandes, Auguste; Antunes, Alexandra; André, Vânia; Mafra, Luís; Duarte, M. Teresa
Journal of publication	Crystal Growth & Design
Year of publication	2016
Journal volume	16
Journal issue	1
Pages of publication	154
a	5.4707 ± 0.0013 Å
b	11.392 ± 0.002 Å
c	23.997 ± 0.005 Å
α	102.811 ± 0.008°
β	93.137 ± 0.009°
γ	99.602 ± 0.01°
Cell volume	1431.3 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.1164
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1319
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
175768 (current)	2016-02-04	cif/ Updating files of 4513714, 4513715, 4513716, 4513717, 4513718 Original log message: Adding full bibliography for 4513714--4513718.cif.	4513716.cif
170654	2015-12-03	cif/ Adding structures of 4513714, 4513715, 4513716, 4513717, 4513718 via cif-deposit CGI script.	4513716.cif