Information card for entry 2207620

Structure parameters

• Chemical name: 11,12-Bis(2,2-dimethylpropyl)-9,10-dihydro-9,10-ethenoanthracene
• Formula: C26 H32
• Calculated formula: C26 H32
• SMILES: c1cccc2c1C1c3ccccc3C2C(=C1CC(C)(C)C)CC(C)(C)C
• Title of publication: 11,12-Bis(2,2-dimethylpropyl)-9,10-dihydro-9,10-ethenoanthracene
• Authors of publication: Herres, Joseph P.; Forman, Mark A.; Wheeler, Kraig A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o3961 - o3963
• a: 35.531 ± 0.007 Å
• b: 12.536 ± 0.003 Å
• c: 9.518 ± 0.002 Å
• α: 90°
• β: 91.61 ± 0.002°
• γ: 90°
• Cell volume: 4237.8 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes