Crystallography Open Database

Information card for entry 7218898

Preview

Coordinates	7218898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Br N O2
Calculated formula	C18 H18 Br N O2
SMILES	BrCCCCCCN1C(=O)c2cccc3cccc(C1=O)c23
Title of publication	1,8-Naphthalimide-based highly blue-emissive fluorophore induced by a bromine atom: reversible thermochromism and vapochromism characteristics
Authors of publication	Chen, Zhao; Wu, Di; Han, Xie; Nie, Yuting; Yin, Jun; Yu, Guang-Ao; Liu, Sheng Hua
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	109
Pages of publication	63985
a	24.404 ± 0.004 Å
b	4.7162 ± 0.0009 Å
c	14.206 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1635 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0831
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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
180519 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/88.	7218898.cif
127882	2014-11-25	cif/ Adding structures of 7218898, 7218899 via cif-deposit CGI script.	7218898.cif