Information card for entry 7157786

Structure parameters

• Formula: C40 H32
• Calculated formula: C40 H32
• SMILES: C1=C(C(=CC=C(C(=C1)/C=C/c1ccccc1)/C=C/c1ccccc1)/C=C/c1ccccc1)/C=C/c1ccccc1
• Title of publication: Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives
• Authors of publication: Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 45
• Pages of publication: 9284 - 9291
• a: 10.4475 ± 0.0005 Å
• b: 12.2806 ± 0.0005 Å
• c: 12.3903 ± 0.0007 Å
• α: 100.338 ± 0.002°
• β: 99.001 ± 0.003°
• γ: 104.084 ± 0.002°
• Cell volume: 1483.14 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No