Information card for entry 2017980

Structure parameters

• Chemical name: 1,4-Phenylenebis(methylene) bis(9<i>H</i>-carbazole-9-carbodithioate)
• Formula: C34 H24 N2 S4
• Calculated formula: C34 H24 N2 S4
• SMILES: S=C(n1c2ccccc2c2c1cccc2)SCc1ccc(cc1)CSC(=S)n1c2ccccc2c2c1cccc2
• Title of publication: 1,4-Phenylenebis(methylene) bis(9<i>H</i>-carbazole-9-carbodithioate)
• Authors of publication: Zuluaga, Fabio; Grande, Carlos; Cobo, Justo; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o77 - o79
• a: 10.296 ± 0.002 Å
• b: 10.0793 ± 0.0019 Å
• c: 13.137 ± 0.002 Å
• α: 90°
• β: 96.646 ± 0.014°
• γ: 90°
• Cell volume: 1354.2 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes