Information card for entry 7157153

Structure parameters

• Formula: C24 H16 N2 O4 S
• Calculated formula: C24 H16 N2 O4 S
• Title of publication: Benzochalcogendiazole-based conjugated molecules: investigating the effects of substituents and heteroatom juggling.
• Authors of publication: Patel, Heta A.; Bhanvadia, Viraj J.; Mande, Hemant M.; Zade, Sanjio S.; Patel, Arun L.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 43
• Pages of publication: 9467
• a: 8.8175 ± 0.001 Å
• b: 10.9212 ± 0.0015 Å
• c: 10.9295 ± 0.0016 Å
• α: 76.676 ± 0.012°
• β: 67.685 ± 0.012°
• γ: 89.692 ± 0.01°
• Cell volume: 943.5 ± 0.2 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2095
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No