Information card for entry 2003802

Structure parameters

• Chemical name: (1) Dimethyl 2-methylcubane-1,4-dicarboxylate
• Formula: C13 H14 O4
• Calculated formula: C13 H14 O4
• Title of publication: Dimethyl 2-Methylcubane-1,4-dicarboxylate and Dimethyl 2,3-Dimethylcubane-1,4-dicarboxylate
• Authors of publication: Cristiano, D.; Gable, R. W.; Lowe, D. A.; Tsanaktsidis, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 1658 - 1661
• a: 7.9455 ± 0.0011 Å
• b: 5.8831 ± 0.0007 Å
• c: 12.56 ± 0.002 Å
• α: 90°
• β: 100.822 ± 0.011°
• γ: 90°
• Cell volume: 576.67 ± 0.14 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 all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections: 0.1279
• Weighted residual factors for significantly intense reflections: 0.1233
• Goodness-of-fit parameter for all reflections: 1.088
• Goodness-of-fit parameter for significantly intense reflections: 1.179
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No