Information card for entry 7159652

Structure parameters

• Formula: C32 H24 Br N3 O4
• Calculated formula: C32 H24 Br N3 O4
• SMILES: Brc1cc([C@@H](c2c(nn(c3ccccc3)c2O)C)[C@H]2C(=O)N(C(=O)/C2=C/c2occc2)c2ccccc2)ccc1.Brc1cc([C@H](c2c(nn(c3ccccc3)c2O)C)[C@@H]2C(=O)N(C(=O)/C2=C/c2occc2)c2ccccc2)ccc1
• Title of publication: Spirocyclization and Michael addition of 3-benzylidene succinimides: route to spirocyclopentapyrrolidine-tetraones and benzylidene <i>N</i>-arylpyrrolidine-diones.
• Authors of publication: Dahiya, Pooja; Yadav, Anoop; Peddinti, Rama Krishna
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 46
• Pages of publication: 9192 - 9199
• a: 12.8 ± 0.14 Å
• b: 12.93 ± 0.15 Å
• c: 18.3 ± 0.2 Å
• α: 101.19 ± 0.14°
• β: 94.84 ± 0.15°
• γ: 107.4 ± 0.2°
• Cell volume: 2802 ± 5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2491
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.2825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No