Information card for entry 1517666

Structure parameters

• Formula: C21 H18 N2 O3
• Calculated formula: C21 H18 N2 O3
• SMILES: C1(=O)[C@]2(c3ccccc3N1C)C(=O)[C@]1(CC2)C(=O)N(c2c1cccc2)C.C1(=O)[C@@]2(c3ccccc3N1C)C(=O)[C@@]1(CC2)C(=O)N(c2c1cccc2)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: 15.1668 ± 0.001 Å
• b: 13.0868 ± 0.0003 Å
• c: 18.4536 ± 0.0008 Å
• α: 90°
• β: 114.242 ± 0.007°
• γ: 90°
• Cell volume: 3339.8 ± 0.3 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: 0.0716
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No