Crystallography Open Database

Information card for entry 7713489

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Coordinates	7713489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H55 B2 Br5 N2
Calculated formula	C48 H55 B2 Br5 N2
Title of publication	One- and two-electron reductions of a bulky BODIPY compound
Authors of publication	Pascoe, Liam M.; Lim, Li Feng; Kallmeier, Fabian; Cox, Nicholas; Brothers, Penelope Jane; Hicks, Jamie
Journal of publication	Dalton Transactions
Year of publication	2023
a	11.5135 ± 0.0004 Å
b	13.7856 ± 0.0005 Å
c	16.3179 ± 0.0005 Å
α	75.759 ± 0.003°
β	75.1 ± 0.003°
γ	83.917 ± 0.003°
Cell volume	2423.46 ± 0.15 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1675
Weighted residual factors for all reflections included in the refinement	0.1758
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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