Information card for entry 2205707

Structure parameters

• Chemical name: 12,12'-Diisobutyl-11,11'-ethylenebis(9,10-dihydro-9,10-ethenoanthracene)
• Formula: C44 H46
• Calculated formula: C44 H46
• SMILES: CC(CC1=C(CCC2=C(CC(C)(C)C)C3c4c(C2c2ccccc32)cccc4)C2c3c(C1c1ccccc21)cccc3)(C)C
• Title of publication: 11-(2,2-Dimethylpropyl)-12-{2-[12-(2,2-dimethylpropyl)-9,10-dihydro-9,10-ethenoanthracen-11-yl]ethyl}-9,10-dihydro-9,10-ethenoanthracene
• Authors of publication: Herres, Joeseph P.; Forman, Mark A.; Wheeler, Kraig A.; Yap, Glenn P.A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1223 - o1225
• a: 9.245 ± 0.0008 Å
• b: 10.0697 ± 0.0009 Å
• c: 18.87 ± 0.002 Å
• α: 90°
• β: 102.654 ± 0.008°
• γ: 90°
• Cell volume: 1714 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1336
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes