Information card for entry 2234825

Structure parameters

• Common name: Dibenzo[a,e]-17,18-bis(1-methylethylidene) pentacyclo[12.2.1.1^6,9^.0^2,13^.0^5,10^]octadeca-2(13),5(10),7,15-tetraene
• Chemical name: 25,26-Bis(propan-2- ylidene)heptacyclo[20.2.1.1^10,13^.0^2,21^.0^3,8^.0^9,14^.0^15,20^]hexacosa- 2(21),3,5,7,9(14),11,15,17,19,23-decaene
• Formula: C32 H28
• Calculated formula: C32 H28
• SMILES: c12ccccc1C1=C(c3ccccc3C3=C2[C@H]2C(=C(C)C)[C@@H]3C=C2)[C@H]2C(=C(C)C)[C@@H]1C=C2
• Title of publication: 25,26-Bis(propan-2-ylidene)heptacyclo[20.2.1.1^10,13^.0^2,21^.0^3,8^.0^9,14^.0^15,20^]hexacosa-2(21),3,5,7,9(14),11,15,17,19,23-decaene
• Authors of publication: Cooper, Stefan M.; Nauman, Tamara R. Schaller; Fronczek, Frank R.; Watkins, Steven F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1569
• a: 9.3577 ± 0.0002 Å
• b: 9.55 ± 0.0003 Å
• c: 12.6946 ± 0.0003 Å
• α: 94.068 ± 0.002°
• β: 94.402 ± 0.002°
• γ: 100.162 ± 0.001°
• Cell volume: 1109.24 ± 0.05 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Cell measurement pressure: 101.3 kPa
• 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: 0.0766
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes