Information card for entry 2231891

Structure parameters

• Chemical name: Methyl 2,2-bis(2,4-dinitrophenyl)ethanoate
• Formula: C15 H10 N4 O10
• Calculated formula: C15 H10 N4 O10
• Title of publication: Methyl 2,2-bis(2,4-dinitrophenyl)ethanoate
• Authors of publication: Kalaivani, D.; Malarvizhi, R.; Nethaji, M.; Rajeswari, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2720
• a: 9.812 ± 0.005 Å
• b: 10.974 ± 0.006 Å
• c: 16.025 ± 0.009 Å
• α: 90°
• β: 91.589 ± 0.01°
• γ: 90°
• Cell volume: 1724.9 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1327
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.2373
• Weighted residual factors for all reflections included in the refinement: 0.2928
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes