Crystallography Open Database

Information card for entry 7063627

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Coordinates	7063627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 B2 F4 N4 O9
Calculated formula	C24 H24 B2 F4 N4 O9
Title of publication	Functionalized 1,3-dipyrrolyl-1,3-diketone difluoroboron complexes
Authors of publication	Shenoy, Ankitha M.; Fernandes, Premie P.; Lakshmi, Vellanki
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	10
Pages of publication	3987 - 3996
a	19.7798 ± 0.0008 Å
b	6.9614 ± 0.0003 Å
c	20.1643 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2776.5 ± 0.2 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1171
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1391
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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