Crystallography Open Database

Information card for entry 7218503

Preview

Coordinates	7218503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Br N O
Calculated formula	C14 H14 Br N O
SMILES	[n+]12cc3ccc(cc3cc2cccc1)C.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	7.799 ± 0.001 Å
b	9.585 ± 0.002 Å
c	9.664 ± 0.002 Å
α	68.967 ± 0.007°
β	70.925 ± 0.006°
γ	83.339 ± 0.006°
Cell volume	637.3 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0936
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1552
Weighted residual factors for all reflections included in the refinement	0.1689
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
180516 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/85.	7218503.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.	7218503.cif
125444	2014-10-16	cif/ Adding structures of 7218498, 7218499, 7218500, 7218501, 7218502, 7218503, 7218504, 7218505 via cif-deposit CGI script.	7218503.cif