Information card for entry 1503348

Structure parameters

• Formula: C34 H31 N3 S2
• Calculated formula: C34 H31 N3 S2
• SMILES: s1c2c(N(c3c2sc2c4ccccc4N(c32)C)c2ccc(cc2)CCCCCC)c2n(c3c(c12)cccc3)C
• Title of publication: Synthesis and characterization of unsymmetric indolodithienopyrrole and extended diindolodithienopyrrole.
• Authors of publication: Balaji, Ganapathy; Phua, Dazril Izrar; Shim, Wong Low; Valiyaveettil, Suresh
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 232 - 235
• a: 10.8111 ± 0.0006 Å
• b: 11.6692 ± 0.0006 Å
• c: 11.6801 ± 0.0006 Å
• α: 95.119 ± 0.001°
• β: 102.578 ± 0.001°
• γ: 103.294 ± 0.001°
• Cell volume: 1384.49 ± 0.13 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No