Information card for entry 1517665

Structure parameters

• Formula: C21 H22 N2 O3
• Calculated formula: C21 H22 N2 O3
• SMILES: c1ccccc1N(C)C(=O)[C@@H]1C(=O)[C@H](CC1)C(=O)N(C)c1ccccc1.c1ccccc1N(C)C(=O)[C@H]1C(=O)[C@@H](CC1)C(=O)N(C)c1ccccc1
• Title of publication: Copper-Mediated Construction of Spirocyclic Bis-oxindoles via a Double C-H, Ar-H Coupling Process.
• Authors of publication: Drouhin, Pauline; Hurst, Timothy E.; Whitwood, Adrian C.; Taylor, Richard J. K.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 4900 - 4903
• a: 8.75713 ± 0.00016 Å
• b: 15.9322 ± 0.0002 Å
• c: 13.1649 ± 0.0002 Å
• α: 90°
• β: 108.299 ± 0.0019°
• γ: 90°
• Cell volume: 1743.89 ± 0.05 ų
• Cell temperature: 110.05 ± 0.1 K
• Ambient diffraction temperature: 110.05 ± 0.1 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: 0.057
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No