Information card for entry 2208385

Structure parameters

• Chemical name: Cyclopent-3-ene-1,1-dicarboxylic acid
• Formula: C7 H8 O4
• Calculated formula: C7 H8 O4
• SMILES: C1(C(=O)O)(C(=O)O)CC=CC1
• Title of publication: Cyclopent-3-ene-1,1-dicarboxylic acid
• Authors of publication: Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o985 - o986
• a: 20.543 ± 0.008 Å
• b: 6.179 ± 0.002 Å
• c: 12.394 ± 0.005 Å
• α: 90°
• β: 98.35 ± 0.03°
• γ: 90°
• Cell volume: 1556.6 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.112
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes