Information card for entry 2201467

Structure parameters

• Common name: 2-norbornene-exo-cis-5,6-dicarboxylic acid
• Chemical name: bicyclo[2.2.1]hept-2-ene-exo-cis-5,6-dicarboxylic acid
• Formula: C9 H10 O4
• Calculated formula: C9 H9.94667 O4
• SMILES: OC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@@H]1C(=O)O)C2
• Title of publication: 2-Norbornene-<i>exo</i>-<i>cis</i>-5,6-dicarboxylic acid
• Authors of publication: Batsanov, Andrei S.; Hesselink, Joanna L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: o1272 - o1274
• a: 11.282 ± 0.002 Å
• b: 11.482 ± 0.002 Å
• c: 11.702 ± 0.002 Å
• α: 114.22 ± 0.01°
• β: 97.44 ± 0.01°
• γ: 101.93 ± 0.01°
• Cell volume: 1313 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0674
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes