Information card for entry 1517087

Structure parameters

• Common name: 1
• Chemical name: 1,10 dimethyl bicyclo[8.8.8]hexacosane
• Formula: C28 H54
• Calculated formula: C28 H54
• SMILES: CC12CCCCCCCCC(CCCCCCCC1)(CCCCCCCC2)C
• Title of publication: Synthesis of 1,10-dimethylbicyclo[8.8.8]hexacosane and 1,10-dihydroxybicyclo[8.8.8]hexacosane.
• Authors of publication: Jones, Ian W.; Monguchi, Yasunari; Dawson, Alice; Carducci, Michael D.; Mash, Eugene A.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 14
• Pages of publication: 2841 - 2843
• a: 10.639 ± 0.003 Å
• b: 27.103 ± 0.008 Å
• c: 10.096 ± 0.003 Å
• α: 90°
• β: 116.417 ± 0.005°
• γ: 90°
• Cell volume: 2607.2 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1754
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No