Information card for entry 2201471

Structure parameters

• Common name: 2-norbornene-trans-5,6-dicarboxylic acid
• Chemical name: bicyclo[2.2.1]hept-2-ene-trans-5,6-dicarboxylic acid
• Formula: C9 H10 O4
• Calculated formula: C9 H10 O4
• SMILES: OC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@H]1C(=O)O)C2.OC(=O)[C@H]1[C@@H]2C=C[C@H]([C@@H]1C(=O)O)C2
• Title of publication: 2-Norbornene-<i>exo,endo</i>-5,6-dicarboxylic acid
• Authors of publication: Batsanov, Andrei S.; Hesselink, Joanna L.; née Megson
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: o1328 - o1329
• a: 12.698 ± 0.001 Å
• b: 5.3906 ± 0.0003 Å
• c: 12.153 ± 0.001 Å
• α: 90°
• β: 92.56 ± 0.01°
• γ: 90°
• Cell volume: 831.04 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0605
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes