Information card for entry 2003334

Structure parameters

• Formula: C14 H10 O4
• Calculated formula: C14 H10 O4
• SMILES: OC(=O)[C@@H]1[C@@H](C(=O)O)c2c3c1cccc3ccc2
• Title of publication: Absolute Configuration of (<i>S</i>,<i>S</i>)-1,2-Dihydro-1,2-<i>trans</i>-acenaphthylenedicarboxylic Acid
• Authors of publication: Parvez, M.; Simion, D.; Lario, P.; Sorensen, T. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 644 - 646
• a: 9.987 ± 0.004 Å
• b: 12.937 ± 0.004 Å
• c: 8.921 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1152.6 ± 0.6 ų
• Cell temperature: 295 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0457
• Goodness-of-fit parameter for significantly intense reflections: 1.97
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No