Crystallography Open Database

Information card for entry 7156891

Preview

Coordinates	7156891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H8 B F2 N O3
Calculated formula	C9 H8 B F2 N O3
Title of publication	BODIPY analogues: synthesis and photophysical studies of difluoro boron complexes from 2-aminotropone scaffolds through N,O-chelation.
Authors of publication	Palai, Bibhuti Bhusana; Soren, Ramachandra; Sharma, Nagendra K.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	26
Pages of publication	6497 - 6505
a	7.0433 ± 0.0004 Å
b	11.562 ± 0.0008 Å
c	11.6118 ± 0.0008 Å
α	90°
β	90.857 ± 0.005°
γ	90°
Cell volume	945.5 ± 0.11 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	0.1295
Residual factor for significantly intense reflections	0.1201
Weighted residual factors for significantly intense reflections	0.3423
Weighted residual factors for all reflections included in the refinement	0.3485
Goodness-of-fit parameter for all reflections included in the refinement	1.567
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225120 (current)	2019-11-08	cif/ Updating files of 7156891, 7156892, 7156893, 7156894, 7156895, 7156896 Original log message: Adding full bibliography for 7156891--7156896.cif.	7156891.cif
215706	2019-06-05	cif/ Adding structures of 7156891, 7156892, 7156893, 7156894, 7156895, 7156896 via cif-deposit CGI script.	7156891.cif