Information card for entry 2003412

Structure parameters

• Chemical name: endo-3,3-Diphenyltricyclo[3.2.1.0^2,4^]oct-6-ene
• Formula: C20 H18
• Calculated formula: C20 H18
• SMILES: C1=C[C@H]2C[C@@H]1[C@@H]1[C@H]2C1(c1ccccc1)c1ccccc1
• Title of publication: <i>endo</i>-3,3-Diphenyltricyclo[3.2.1.0^2,4^]oct-6-ene
• Authors of publication: Peeran, M.; Wilt, J. W.; Zaluzec, E. J.; Pavkovic, S. F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 952 - 954
• a: 13.0681 ± 0.0005 Å
• b: 6.1093 ± 0.0002 Å
• c: 9.7006 ± 0.0003 Å
• α: 79.535 ± 0.002°
• β: 107.879 ± 0.002°
• γ: 93.968 ± 0.002°
• Cell volume: 724.73 ± 0.04 ų
• Cell temperature: 292 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 significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.087
• Goodness-of-fit parameter for significantly intense reflections: 0.8245
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No