Information card for entry 1547313

Structure parameters

• Formula: C24 H19 N O2
• Calculated formula: C24 H19 N O2
• SMILES: c1cccc2C(=O)C[C@@H]([C@@]3(c12)C(=O)N(c1ccccc31)C)c1ccccc1.c1cccc2C(=O)C[C@H]([C@]3(c12)C(=O)N(c1ccccc31)C)c1ccccc1
• Title of publication: Stereoselective Construction of α-Tetralone-Fused Spirooxindoles via Pd-Catalyzed Domino Carbene Migratory Insertion/Conjugate Addition Sequence.
• Authors of publication: Arunprasath, Dhanarajan; Devi Bala, Balasubramanian; Sekar, Govindasamy
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 5280 - 5283
• a: 26.201 ± 0.002 Å
• b: 9.1245 ± 0.0007 Å
• c: 16.2023 ± 0.0013 Å
• α: 90°
• β: 108.289 ± 0.003°
• γ: 90°
• Cell volume: 3677.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No