Information card for entry 1517667

Structure parameters

• Formula: C22 H22 N2 O3
• Calculated formula: C22 H22 N2 O3
• SMILES: O=C([C@]1(c2ccccc2N(C1=O)C)CC)[C@@]1(C(=O)N(c2c1cccc2)C)C.O=C([C@@]1(c2ccccc2N(C1=O)C)CC)[C@]1(C(=O)N(c2c1cccc2)C)C
• 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: 7.7526 ± 0.0003 Å
• b: 16.2826 ± 0.0007 Å
• c: 14.5413 ± 0.0008 Å
• α: 90°
• β: 96.448 ± 0.005°
• γ: 90°
• Cell volume: 1823.97 ± 0.15 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1533
• Residual factor for significantly intense reflections: 0.0928
• Weighted residual factors for significantly intense reflections: 0.2206
• Weighted residual factors for all reflections included in the refinement: 0.2563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No