Information card for entry 2002016

Structure parameters

• Chemical name: 1,2,2,3,3,4,4,5-octamethyl-6,7,8-trioxabicyclo[3.2.1]octane
• Formula: C13 H24 O3
• Calculated formula: C13 H24 O3
• SMILES: C[C@]12OO[C@@](O1)(C)C(C(C2(C)C)(C)C)(C)C
• Title of publication: Structure of 1,2,2,3,3,4,4,5-octamethyl-6,7,8-trioxabicyclo[3.2.1]octane
• Authors of publication: Jerzykiewicz, L. B.; Dziewońska-Baran, D.; Baran, J.; Lis, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 400 - 402
• a: 14.91 ± 0.02 Å
• b: 13.48 ± 0.02 Å
• c: 13.01 ± 0.01 Å
• α: 90°
• β: 90.47 ± 0.07°
• γ: 90°
• Cell volume: 2615 ± 6 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 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: 0.037
• Weighted residual factors for significantly intense reflections: 0.035
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No