Information card for entry 1507667

Structure parameters

• Formula: C18 H13 Br2 N O3
• Calculated formula: C18 H13 Br2 N O3
• SMILES: Brc1cc([C@@H]2[C@]3(OC(=O)C2)C(=O)N(c2c3cccc2)C)cc(Br)c1
• Title of publication: Dinuclear zinc catalyzed asymmetric spirannulation reaction: an umpolung strategy for formation of α-alkylated-α-hydroxyoxindoles.
• Authors of publication: Trost, Barry M.; Hirano, Keiichi
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 2446 - 2449
• a: 8.3956 ± 0.0008 Å
• b: 13.8645 ± 0.0014 Å
• c: 14.431 ± 0.0015 Å
• α: 90°
• β: 91.624 ± 0.002°
• γ: 90°
• Cell volume: 1679.1 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0767
• 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