Information card for entry 7219681

Structure parameters

• Formula: C17 H13 N O4
• Calculated formula: C17 H13 N O4
• SMILES: N1(C(=O)c2ccc(cc2C1=O)C(=O)O)c1c(cccc1C)C
• Title of publication: Mechanochemical synthesis of phthalimides with crystal structures of intermediates and products
• Authors of publication: Colaço, Melwin; Dubois, Jean; Wouters, Johan
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 2523
• a: 8.404 ± 0.0005 Å
• b: 11.693 ± 0.001 Å
• c: 15.24 ± 0.001 Å
• α: 97.881 ± 0.006°
• β: 93.354 ± 0.005°
• γ: 96.81 ± 0.006°
• Cell volume: 1468.73 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1557
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No