Information card for entry 2007827

Structure parameters

• Chemical name: L'Anhydride Cis-1,2,3,6-Tétrahydrophtalique
• Formula: C8 H8 O3
• Calculated formula: C8 H8 O3
• SMILES: C1(=O)[C@@H]2CC=CC[C@@H]2C(=O)O1
• Title of publication: L'Anhydride <i>cis</i>-1,2,3,6-Tétrahydrophtalique
• Authors of publication: Ben Fredj, Arij; Ben Redjeb, Sadok; Ben Amor, Fatma; Driss, Ahmed
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1710 - 1712
• a: 13.385 ± 0.004 Å
• b: 5.215 ± 0.001 Å
• c: 22.159 ± 0.004 Å
• α: 90°
• β: 107.29 ± 0.04°
• γ: 90°
• Cell volume: 1476.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.114
• Weighted residual factors for significantly intense reflections: 0.099
• Goodness-of-fit parameter for all reflections: 1.082
• Goodness-of-fit parameter for significantly intense reflections: 1.252
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No