Information card for entry 2238300

Structure parameters

• Chemical name: 2-Oxo-2<i>H</i>-chromen-4-yl propionic acid
• Formula: C12 H10 O4
• Calculated formula: C12 H10 O4
• Title of publication: 2-Oxo-2<i>H</i>-chromen-4-yl propionate
• Authors of publication: Bibila Mayaya Bisseyou, Yvon; Abou, Akoun; Djandé, Abdoulaye; Danger, Grégoire; Kakou-Yao, Rita
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1125 - o1126
• a: 9.2834 ± 0.0003 Å
• b: 6.7081 ± 0.0002 Å
• c: 16.8068 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1046.63 ± 0.06 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes