Information card for entry 7057198

Structure parameters

• Chemical name: fused Ph-BTD-Ph
• Formula: C26.5 H27 Cl N4 S
• Calculated formula: C26.5 H27 Cl N4 S
• Title of publication: Effects of chalcogen atom variation in chalcogenadiazole fused indolo[2,3-a]carbazoles
• Authors of publication: Ghosh, Sirina; Kumar, Neha Rani; Zade, Sanjio S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 9
• Pages of publication: 6889
• a: 20.8253 ± 0.0006 Å
• b: 14.6218 ± 0.0005 Å
• c: 16.028 ± 0.0005 Å
• α: 90°
• β: 109.45 ± 0.004°
• γ: 90°
• Cell volume: 4602.1 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No