Information card for entry 1569178

Structure parameters

• Common name: 5-[(4-Methylphenyl)sulfonyl]-1-phenylthiopyrano[4,3-<i>b</i>]indole-3(5<i>H</i>)-thione dichloromethane monosolvate
• Formula: C25 H19 Cl2 N O2 S3
• Calculated formula: C25 H19 Cl2 N O2 S3
• SMILES: n1(c2cc(=S)sc(c2c2ccccc12)c1ccccc1)S(=O)(=O)c1ccc(cc1)C.C(Cl)Cl
• Title of publication: 5-[(4-Methylphenyl)sulfonyl]-1-phenylthiopyrano[4,3-b]indole-3(5H)-thione dichloromethane monosolvate
• Authors of publication: Dassonneville, Benjamin; Schollmeyer, Dieter; Detert, Heiner
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 5
• Pages of publication: x230354
• a: 9.8368 ± 0.0014 Å
• b: 10.2783 ± 0.0015 Å
• c: 13.2857 ± 0.0018 Å
• α: 97.689 ± 0.009°
• β: 108.305 ± 0.008°
• γ: 108.103 ± 0.008°
• Cell volume: 1171.6 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No