Crystallography Open Database

Information card for entry 7234450

Preview

Coordinates	7234450.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	XB co-crystal
Formula	C26 H21 F2 I N3 O2
Calculated formula	C26 H21 F2 I N3 O2
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	5.1722 ± 0.0004 Å
b	11.517 ± 0.0011 Å
c	38.904 ± 0.003 Å
α	90°
β	93.669 ± 0.007°
γ	90°
Cell volume	2312.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2418
Residual factor for significantly intense reflections	0.0836
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.1215
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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.	7234450.cif