Crystallography Open Database

Information card for entry 7236252

Preview

Coordinates	7236252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H13 B F2 N2 O2
Calculated formula	C16 H13 B F2 N2 O2
Title of publication	Solution and solid-state fluorescence of 2-(2′-hydroxyphenyl)-1,5-benzodiazepin-2-one (HBD) borate complexes
Authors of publication	Mtiraoui, Hasan; Gharbi, Rafik; Msaddek, Moncef; Bretonnière, Yann; Andraud, Chantal; Renard, Pierre-Yves; Sabot, Cyrille
Journal of publication	RSC Advances
Year of publication	2016
Journal volume	6
Journal issue	89
Pages of publication	86352
a	10.1732 ± 0.001 Å
b	7.3747 ± 0.0007 Å
c	19.0117 ± 0.0019 Å
α	90°
β	94.747 ± 0.002°
γ	90°
Cell volume	1421.4 ± 0.2 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0977
Weighted residual factors for all reflections included in the refinement	0.1022
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
235317 (current)	2019-11-23	cif/ Adding structures of 7236252 via cif-deposit CGI script.	7236252.cif