Information card for entry 2013247

Structure parameters

• Formula: C16 H14 O
• Calculated formula: C16 H14 O
• SMILES: OC1CC2c3c(C1c1c2cccc1)cccc3
• Title of publication: (2<i>RS</i>)-5,6:7,8-Dibenzobicyclo[2.2.2]octan-2-ol
• Authors of publication: Muir, Kenneth W.; Morris, David G.; Ryder, Karl S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o283 - o285
• a: 14.3719 ± 0.0003 Å
• b: 22.865 ± 0.0006 Å
• c: 7.0703 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2323.4 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes