Crystallography Open Database

Information card for entry 7156895

Preview

Coordinates	7156895.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	RCS-48
Formula	C16 H11 B F2 N2 O
Calculated formula	C16 H11 B F2 N2 O
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	7.0792 ± 0.0004 Å
b	7.4313 ± 0.0004 Å
c	26.3653 ± 0.0014 Å
α	90°
β	96.772 ± 0.005°
γ	90°
Cell volume	1377.34 ± 0.13 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0443
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.175
Weighted residual factors for all reflections included in the refinement	0.1867
Goodness-of-fit parameter for all reflections included in the refinement	0.842
Diffraction radiation probe	x-ray
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
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.	7156895.cif
215706	2019-06-05	cif/ Adding structures of 7156891, 7156892, 7156893, 7156894, 7156895, 7156896 via cif-deposit CGI script.	7156895.cif