Crystallography Open Database

Information card for entry 7234452

Preview

Coordinates	7234452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H42 F4 I2 N6 O4
Calculated formula	C52 H42 F4 I2 N6 O4
SMILES	c12c3cccc1c(ccc2C(=O)N(C3=O)Cc1cccnc1)N1CCCCC1.c12c3ccc(c1cccc2C(=O)N(c3=O)Cc1cccnc1)N1CCCCC1.c1(c(c(c(c(c1I)F)F)I)F)F
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	39.688 ± 0.004 Å
b	7.41 ± 0.0007 Å
c	31.521 ± 0.003 Å
α	90°
β	93.019 ± 0.008°
γ	90°
Cell volume	9257.1 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.259
Residual factor for significantly intense reflections	0.0882
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1534
Goodness-of-fit parameter for all reflections included in the refinement	0.952
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
219153 (current)	2019-10-08	cif/ Adding structures of 7234449, 7234450, 7234451, 7234452, 7234453, 7234454, 7234455 via cif-deposit CGI script.	7234452.cif