Information card for entry 1559184

Structure parameters

• Common name: [4](2,7)Benzo[d]troponophane
• Formula: C15 H10 O
• Calculated formula: C15 O
• Title of publication: Molecular Structure of [4](2,7)Benzo[d]troponophane
• Authors of publication: Kloster-Jensen, Else; Romming, Christian
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1992
• Journal volume: 46
• Pages of publication: 309 - 311
• a: 9.003 ± 0.001 Å
• b: 9.815 ± 0.002 Å
• c: 12.771 ± 0.001 Å
• α: 90°
• β: 98.97 ± 0.01°
• γ: 90°
• Cell volume: 1114.7 ± 0.3 ų
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.54
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No