Information card for entry 2242294

Structure parameters

• Chemical name: 2,6-Dibenzylpyrrolo[3,4-<i>f</i>]isoindole-1,3,5,7(2<i>H</i>,6<i>H</i>)-\ tetrathione
• Formula: C24 H16 N2 S4
• Calculated formula: C24 H16 N2 S4
• SMILES: S=C1N(C(=S)c2c1cc1C(=S)N(C(=S)c1c2)Cc1ccccc1)Cc1ccccc1
• Title of publication: Crystal structure of 2,6-dibenzylpyrrolo[3,4-<i>f</i>]isoindole-1,3,5,7(2<i>H</i>,6<i>H</i>)-tetrathione
• Authors of publication: Im, Hansu; Park, Hyunjin; Kim, Tae Ho; Woo, Chang Hwa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 9
• Pages of publication: 1379 - 1381
• a: 6.8571 ± 0.0004 Å
• b: 4.7724 ± 0.0003 Å
• c: 32.001 ± 0.0017 Å
• α: 90°
• β: 95.916 ± 0.004°
• γ: 90°
• Cell volume: 1041.65 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.044
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes