Information card for entry 1504167

Structure parameters

• Formula: C20 H14 N4 S
• Calculated formula: C20 H14 N4 S
• SMILES: s1nc2c3c4ccccc4n(c3c3n(c4c(c3c2n1)cccc4)C)C
• Title of publication: Thiadiazole fused indolo[2,3-a]carbazole based oligomers and polymer.
• Authors of publication: Balaji, Ganapathy; Shim, Wong Low; Parameswaran, Manoj; Valiyaveettil, Suresh
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 4450 - 4453
• a: 8.9001 ± 0.0004 Å
• b: 11.3943 ± 0.0005 Å
• c: 14.9742 ± 0.0007 Å
• α: 90°
• β: 91.902 ± 0.001°
• γ: 90°
• Cell volume: 1517.7 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No