Information card for entry 7132139

Structure parameters

• Formula: C23 H18 Br N3 O3
• Calculated formula: C23 H18 Br N3 O3
• SMILES: BrC1=C(c2n(ccc2)[C@@]2(c3ccccc3N(C2=O)C)[C@@H]1CN(=O)=O)c1ccccc1
• Title of publication: Sequential Organo and Metal Catalyzed Reaction Between 3-Pyrrolyloxindoles and Linear Nitroenynes: Access to Cyclic Aza-Spirooxindoles
• Authors of publication: Biswas, Subhankar; Purkayastha, Siddhartha Kumar; Guha, Ankur Kanti; Pan, Subhas Chandra
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 7.7574 ± 0.0007 Å
• b: 13.918 ± 0.0014 Å
• c: 9.8197 ± 0.0009 Å
• α: 90°
• β: 107.102 ± 0.003°
• γ: 90°
• Cell volume: 1013.33 ± 0.17 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 0.709
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No