Information card for entry 2232863

Structure parameters

• Chemical name: Dibenzo[<i>a</i>,<i>e</i>]pentacyclo[12.2.1.1^6,9^.0^2,13^.0^5.10^]octadeca- 2(13),5(10)-diene
• Formula: C26 H24
• Calculated formula: C26 H24
• SMILES: c12ccccc1C1=C(c3ccccc3C3=C2[C@H]2C[C@@H]3CC2)[C@H]2C[C@@H]1CC2
• Title of publication: Dibenzo[<i>a</i>,<i>e</i>]pentacyclo[12.2.1.1^6,9^.0^2,13^.0^5.10^]octadeca-2(13),5(10)-diene
• Authors of publication: Gautreaux, Dixie; Nauman, Tamara R. Schaller; Fronczek, Frank R.; Watkins, Steven F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3209
• a: 9.6962 ± 0.0004 Å
• b: 9.7754 ± 0.0004 Å
• c: 10.3676 ± 0.0004 Å
• α: 77.896 ± 0.002°
• β: 63.781 ± 0.002°
• γ: 85.497 ± 0.002°
• Cell volume: 861.87 ± 0.06 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 significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes