Crystallography Open Database

Information card for entry 8106257

Preview

Coordinates	8106257.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	acridinium 2-carboxybenzoate
Formula	C21 H15 N O4
Calculated formula	C21 H15 N O4
Title of publication	The crystal structure of acridin-10-ium2-carboxybenzoate, C21H15NO4
Authors of publication	Fennig, Kornelia; Sikorski, Artur
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	4
Pages of publication	675 - 676
a	7.2223 ± 0.0003 Å
b	9.185 ± 0.0004 Å
c	25.2304 ± 0.001 Å
α	90°
β	92.604 ± 0.003°
γ	90°
Cell volume	1671.98 ± 0.12 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.1205
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8106257.html