Crystallography Open Database

Information card for entry 7218498

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Coordinates	7218498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H11 Br F N O
Calculated formula	C13 H11 Br F N O
Title of publication	Solid-state photoreactivity of 9-substituted acridizinium bromide salts
Authors of publication	Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	47
Pages of publication	10830
a	10.4896 ± 0.0004 Å
b	12.9381 ± 0.0005 Å
c	9.9423 ± 0.0003 Å
α	90°
β	117.876 ± 0.003°
γ	90°
Cell volume	1192.75 ± 0.08 Å³
Cell temperature	270 ± 2 K
Ambient diffraction temperature	270 ± 2 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	0.0643
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1032
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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