Crystallography Open Database

Information card for entry 7719032

7719031 << 7719032 >> 7719033

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Coordinates	7719032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 B Br2 F2 N3
Calculated formula	C20 H14 B Br2 F2 N3
Title of publication	Synthesis, structure, spectral and redox properties of 3-pyrrolyl BODIPYs containing one to eight bromides at the pyrrole carbons.
Authors of publication	Chauhan, Pinky; Ravikanth, Mangalampalli
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	18
Pages of publication	7465 - 7474
a	10.8062 ± 0.0003 Å
b	21.3167 ± 0.0005 Å
c	8.1321 ± 0.0002 Å
α	90°
β	98.24 ± 0.002°
γ	90°
Cell volume	1853.91 ± 0.08 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.0753
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
300365 (current)	2025-07-05	cif/ Adding structures of 7719031, 7719032, 7719033, 7719034, 7719035 via cif-deposit CGI script.	7719032.cif