Crystallography Open Database

Information card for entry 7218501

Preview

Coordinates	7218501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H11 Br I N O
Calculated formula	C13 H11 Br I N O
SMILES	[n+]12c(cccc2)cc2cc(ccc2c1)I.O.[Br-]
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	7.5841 ± 0.0006 Å
b	19.2894 ± 0.0016 Å
c	9.3211 ± 0.0009 Å
α	90°
β	105.886 ± 0.004°
γ	90°
Cell volume	1311.5 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0716
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.117
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7218501.cif
128363	2014-12-06	cif/ Updating files of 7218498, 7218499, 7218500, 7218501, 7218502, 7218503, 7218504, 7218505 Original log message: Adding full bibliography for 7218498--7218505.cif.	7218501.cif
125444	2014-10-16	cif/ Adding structures of 7218498, 7218499, 7218500, 7218501, 7218502, 7218503, 7218504, 7218505 via cif-deposit CGI script.	7218501.cif