Information card for entry 2237299

Structure parameters

• Chemical name: (6<i>R</i>*,10<i>R</i>*)-Dimethyl 1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate
• Formula: C12 H18 O6
• Calculated formula: C12 H18 O6
• SMILES: C12([C@H](CCC[C@@H]2C(=O)OC)C(=O)OC)OCCO1.C12([C@@H](CCC[C@H]2C(=O)OC)C(=O)OC)OCCO1
• Title of publication: (6<i>R</i>*,10<i>R</i>*)-Dimethyl 1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate
• Authors of publication: Jahangiri, Amita; Wendt, Ola F.; Strand, Daniel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o265
• a: 8.6243 ± 0.0009 Å
• b: 7.3203 ± 0.0006 Å
• c: 10.1704 ± 0.0009 Å
• α: 90°
• β: 91.719 ± 0.008°
• γ: 90°
• Cell volume: 641.79 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes