Information card for entry 7132138

Structure parameters

• Formula: C23 H18 Br N3 O3
• Calculated formula: C23 H18 Br N3 O3
• SMILES: Brc1cc2N(C(=O)[C@]3(n4cccc4C(=C[C@H]3CN(=O)=O)c3ccccc3)c2cc1)C
• 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: 10.182 ± 0.0006 Å
• b: 10.2729 ± 0.0006 Å
• c: 19.3413 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2023.1 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No