Information card for entry 2010964

Structure parameters

• Formula: C16 H26 O2
• Calculated formula: C16 H26 O2
• SMILES: [C@H]12CCCCCCCCC[C@@H](C(=O)CCC1)C2=O.[C@@H]12CCCCCCCCC[C@H](C(=O)CCC1)C2=O
• Title of publication: (1<i>R</i>*,11<i>R</i>*)-Bicyclo[9.4.1]hexadecane-12,16-dione
• Authors of publication: Hollmann, Christoph; Schürmann, Markus; Preut, Hans; Eilbracht, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: e215 - e215
• a: 8.0114 ± 0.0004 Å
• b: 9.8149 ± 0.0007 Å
• c: 10.2505 ± 0.0008 Å
• α: 107.919 ± 0.002°
• β: 106.039 ± 0.004°
• γ: 91.831 ± 0.004°
• Cell volume: 731 ± 0.09 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes