Information card for entry 1547315

Structure parameters

• Formula: C30 H23 N O2
• Calculated formula: C30 H23 N O2
• SMILES: c12ccccc1C(=O)C[C@@H]([C@@]12C(=O)N(c2ccccc12)Cc1ccccc1)c1ccccc1.c12ccccc1C(=O)C[C@H]([C@]12C(=O)N(c2ccccc12)Cc1ccccc1)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: 9.0802 ± 0.0003 Å
• b: 9.9498 ± 0.0004 Å
• c: 24.9306 ± 0.0009 Å
• α: 90°
• β: 98.8194 ± 0.0013°
• γ: 90°
• Cell volume: 2225.75 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0997
• 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