Information card for entry 7003681

Structure parameters

• Formula: C9 H9 N O4
• Calculated formula: C9 H9 N O4
• SMILES: C(=O)(C[C@H](C(=O)[O])[n+]1ccccc1)O
• Title of publication: Maleate‒fumarate conversion and other novel aspects of the reaction of a Co(ii) maleate with pyridine and bipyridine
• Authors of publication: Padmanabhan, M.; Joseph, James C.; Thirumurugan, A.; Rao, C. N. R.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 21
• Pages of publication: 2809 - 2811
• a: 7.7396 ± 0.0004 Å
• b: 7.7859 ± 0.0004 Å
• c: 14.9927 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 903.46 ± 0.08 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No