Crystallography Open Database

Information card for entry 7234451

Preview

Coordinates	7234451.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 N3 O2
Calculated formula	C23 H21 N3 O2
SMILES	c12c3c(ccc(c3ccc1)N1CCCCC1)C(=O)N(C2=O)Cc1cnccc1
Title of publication	Fluorescent crystals and co-crystals of 1,8-naphthalimide derivatives: synthesis, structure determination and photophysical characterization
Authors of publication	F. Grepioni; S. d'Agostino; D. Braga; A. Bertocco; L. Catalano; B. Ventura
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	9425 - 9434
a	12.4319 ± 0.0013 Å
b	4.7462 ± 0.0005 Å
c	31.791 ± 0.003 Å
α	90°
β	100.259 ± 0.009°
γ	90°
Cell volume	1845.8 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.2153
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1263
Weighted residual factors for all reflections included in the refinement	0.1782
Goodness-of-fit parameter for all reflections included in the refinement	0.969
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
292638 (current)	2024-06-28	cif/7: Fixing Z values and formulae	7234451.cif
219153	2019-10-08	cif/ Adding structures of 7234449, 7234450, 7234451, 7234452, 7234453, 7234454, 7234455 via cif-deposit CGI script.	7234451.cif