Crystallography Open Database

Information card for entry 2205215

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Structure parameters

Chemical name	5,6,7-Trimethoxy-2,3-dihydro-1H,8H-benzo[a]pyrrolo[3,4-c]carbazole-1,3-dione dimethyl sulfoxide solvate
Formula	C23 H22 N2 O6 S
Calculated formula	C23 H22 N2 O6 S
SMILES	c12c3ccccc3[nH]c1c1c(c3c2C(=O)NC3=O)cc(c(c1OC)OC)OC.S(=O)(C)C
Title of publication	5,6,7-Trimethoxy-2,3-dihydro-1<i>H</i>,8<i>H</i>-benzo[<i>a</i>]pyrrolo[3,4-<i>c</i>]carbazole-1,3-dione dimethyl sulfoxide solvate
Authors of publication	Christian Peifer; Schollmeyer, Dieter; Gerd Dannhardt
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	3
Pages of publication	o724 - o725
a	7.994 ± 0.002 Å
b	20.04 ± 0.004 Å
c	13.644 ± 0.004 Å
α	90°
β	106.586 ± 0.012°
γ	90°
Cell volume	2094.8 ± 0.9 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
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	0.1118
Residual factor for significantly intense reflections	0.0756
Weighted residual factors for significantly intense reflections	0.1702
Weighted residual factors for all reflections included in the refinement	0.1874
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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