Information card for entry 2010949

Structure parameters

• Chemical name: (1R^*^,2R^*^)-1,2-o-(2',3'-dimethoxybutane-2',3'-diyl)-cyclohexane
• Formula: C12 H22 O4
• Calculated formula: C12 H22 O4
• SMILES: [C@@H]12[C@H](CCCC1)O[C@](C)([C@@](C)(O2)OC)OC.[C@H]12[C@@H](CCCC1)O[C@@](C)([C@](C)(O2)OC)OC
• Title of publication: (1<i>R</i>*,2<i>R</i>*)-1,2-(2,3-Dimethoxybutane-2,3-dioxy)cyclohexane
• Authors of publication: Weinig, Hans-Georg; Koert, Ulrich; Ziemer, Burkhard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: e218 - e218
• a: 8.2971 ± 0.0011 Å
• b: 9.4297 ± 0.0014 Å
• c: 9.648 ± 0.0013 Å
• α: 68.794 ± 0.012°
• β: 67.62 ± 0.009°
• γ: 67.565 ± 0.01°
• Cell volume: 624.14 ± 0.16 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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: 0.045
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes