Information card for entry 7159651

Structure parameters

• Formula: C33 H22 N O5 S
• Calculated formula: C33 H23 N O5 S
• SMILES: s1c([C@H]2C3([C@H]([C@@H]4C(=O)N(C(=O)[C@H]24)c2ccc(cc2)C)C(=O)c2ccccc2)C(=O)c2ccccc2C3=O)ccc1.s1c([C@@H]2C3([C@@H]([C@H]4C(=O)N(C(=O)[C@@H]24)c2ccc(cc2)C)C(=O)c2ccccc2)C(=O)c2ccccc2C3=O)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: 10.988 ± 0.002 Å
• b: 11.648 ± 0.002 Å
• c: 12.588 ± 0.003 Å
• α: 114.144 ± 0.006°
• β: 108.931 ± 0.007°
• γ: 92.315 ± 0.007°
• Cell volume: 1362.4 ± 0.5 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 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: 0.0669
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No