Information card for entry 1547317

Structure parameters

• Formula: C27 H18 O2
• Calculated formula: C27 H18 O2
• SMILES: C1(=O)c2cccc3cccc(c23)[C@]21c1ccccc1C(=O)C[C@@H]2c1ccccc1.C1(=O)c2cccc3cccc(c23)[C@@]21c1ccccc1C(=O)C[C@H]2c1ccccc1
• 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: 8.7392 ± 0.0003 Å
• b: 10.6106 ± 0.0003 Å
• c: 11.8953 ± 0.0004 Å
• α: 73.1183 ± 0.0016°
• β: 78.1739 ± 0.0017°
• γ: 66.4494 ± 0.0015°
• Cell volume: 962.6 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1992
• Weighted residual factors for all reflections included in the refinement: 0.2232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No