Information card for entry 2011604

Structure parameters

• Chemical name: Cis,cis,cis-Tetramethyl 1,2,4,5-cyclohexanetetracarboxylate
• Formula: C14 H20 O8
• Calculated formula: C14 H20 O8
• SMILES: O=C(OC)[C@H]1[C@H](C[C@H]([C@H](C1)C(=O)OC)C(=O)OC)C(=O)OC
• Title of publication: <i>cis</i>,<i>cis</i>,<i>cis</i>-Tetramethyl 1,2,4,5-cyclohexanetetracarboxylate
• Authors of publication: Robinson, Paul D.; Hua, Duy H.; Fan, Jingmei; Liu, Lanzhu; McGill, James W.; Arshid, Mohammed; Meyers, Cal Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1471 - 1472
• a: 18.6901 ± 0.0019 Å
• b: 10.031 ± 0.002 Å
• c: 17.781 ± 0.002 Å
• α: 90°
• β: 109.91 ± 0.008°
• γ: 90°
• Cell volume: 3134.3 ± 0.8 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.184
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No