Information card for entry 4038238

Structure parameters

• Formula: C25 H24 N2 O5
• Calculated formula: C25 H24 N2 O5
• Title of publication: Oxidative C-H/N-H Annulation of Aromatic Amides with Dialkyl Malonates: Access to Isoindolinones and Dihydrobenzoindoles.
• Authors of publication: Pradhan, Sourav; Roy, Subhasish; Banerjee, Sonbidya; De, Pinaki Bhusan; Punniyamurthy, Tharmalingam
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 8
• Pages of publication: 5741 - 5749
• a: 9.2898 ± 0.0008 Å
• b: 11.6784 ± 0.0009 Å
• c: 12.1295 ± 0.001 Å
• α: 92.062 ± 0.003°
• β: 112.04 ± 0.003°
• γ: 110.021 ± 0.003°
• Cell volume: 1125.43 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0805
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1443
• 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