Crystallography Open Database

Information card for entry 7053978

Preview

Coordinates	7053978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H30 F3 N5 O6 S
Calculated formula	C23 H30 F3 N5 O6 S
Title of publication	Towards sensory Langmuir monolayers consisting of macrocyclic pentaaminoanthraquinone
Authors of publication	Ranyuk, Elena; Ermakova, Elizaveta V.; Bovigny, Laura; Meyer, Michel; Bessmertnykh-Lemeune, Alla; Guilard, Roger; Rousselin, Yoann; Tsivadze, Aslan Yu.; Arslanov, Vladimir V.
Journal of publication	New Journal of Chemistry
Year of publication	2014
Journal volume	38
Journal issue	1
Pages of publication	317
a	7.1884 ± 0.0002 Å
b	11.2777 ± 0.0003 Å
c	16.3837 ± 0.0006 Å
α	107.004 ± 0.002°
β	93.659 ± 0.002°
γ	102.998 ± 0.001°
Cell volume	1225.57 ± 0.07 Å³
Cell temperature	115 K
Ambient diffraction temperature	115 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1635
Residual factor for significantly intense reflections	0.0976
Weighted residual factors for significantly intense reflections	0.2758
Weighted residual factors for all reflections included in the refinement	0.3203
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα~1~
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180093 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/39.	7053978.cif
105668	2014-03-12	cif/ Adding structures of 7053977, 7053978 via cif-deposit CGI script.	7053978.cif