Crystallography Open Database

Information card for entry 2227844

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Structure parameters

Chemical name	9-(2,6-Dimethylphenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate
Formula	C24 H20 F3 N O5 S
Calculated formula	C24 H20 F3 N O5 S
SMILES	c1cccc2[n+](c3ccccc3c(c12)C(=O)Oc1c(cccc1C)C)C.S(=O)(=O)([O-])C(F)(F)F
Title of publication	9-(2,6-Dimethylphenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate
Authors of publication	Trzybiński, Damian; Krzymiński, Karol; Błażejowski, Jerzy
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	11
Pages of publication	o2929 - o2930
a	9.5841 ± 0.0004 Å
b	11.2491 ± 0.0006 Å
c	12.1738 ± 0.0003 Å
α	106.08 ± 0.003°
β	101.89 ± 0.003°
γ	110.755 ± 0.004°
Cell volume	1109.66 ± 0.1 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1253
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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