Information card for entry 7224744

Structure parameters

• Formula: C21 H17 N O8
• Calculated formula: C21 H17 N O8
• SMILES: c1(ccccc1)N1C(=O)c2c(C1=O)c(c(c(c2C(=O)OC)C(=O)OC)C(=O)OC)C
• Title of publication: Water ‒ the best solvent for DMAP-mediated dual cyclization towards metal-free first synthesis of fully substituted phthalimides
• Authors of publication: Samai, Subhasis; Ghosh, Debasish; Das, Uttam K.; Atta, Sanghamitra; Manna, Saikat K.; Maiti, Dilip K.
• Journal of publication: Green Chem.
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 2961
• a: 8.133 ± 0.003 Å
• b: 11.671 ± 0.004 Å
• c: 11.708 ± 0.003 Å
• α: 63.061 ± 0.014°
• β: 84.432 ± 0.014°
• γ: 75.914 ± 0.014°
• Cell volume: 960.8 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0498
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No