Information card for entry 7224743

Structure parameters

• Formula: C25 H25 N O9
• Calculated formula: C25 H25 N O9
• SMILES: O(C)c1ccc(N2C(=O)c3c(C2=O)c(c(c(c3C(=O)OCC)C(=O)OCC)C(=O)OCC)C)cc1
• 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: 23.7419 ± 0.0009 Å
• b: 8.0217 ± 0.0003 Å
• c: 31.6881 ± 0.0009 Å
• α: 90°
• β: 127.152 ± 0.002°
• γ: 90°
• Cell volume: 4810.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0671
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No