Crystallography Open Database

Information card for entry 8107175

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Coordinates	8107175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 N5 O9 S
Calculated formula	C24 H27 N5 O9 S
Title of publication	Crystal structure of 6,9-diamino-2-ethoxyacridinium 3,5-dinitrobenozate — dimethylsulfoxide — water (1/1/1), C24H27N5O9S
Authors of publication	Mirocki, Artur
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	4
Pages of publication	639 - 641
a	7.5749 ± 0.0004 Å
b	10.0368 ± 0.0005 Å
c	17.9111 ± 0.001 Å
α	87.224 ± 0.004°
β	83.678 ± 0.004°
γ	85.414 ± 0.004°
Cell volume	1348.05 ± 0.12 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0844
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.132
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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