Information card for entry 1517669

Structure parameters

• Formula: C25 H26 N2 O4
• Calculated formula: C25 H26 N2 O4
• SMILES: O=C1N(C)c2c(cccc2)[C@]1(C)C(=O)C(C)(C(=O)[C@@]1(C)c2ccccc2N(C)C1=O)C.O=C1N(C)c2c(cccc2)[C@@]1(C)C(=O)C(C)(C(=O)[C@]1(C)c2ccccc2N(C)C1=O)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: 8.64219 ± 0.00011 Å
• b: 11.74898 ± 0.00019 Å
• c: 21.3609 ± 0.0003 Å
• α: 90°
• β: 90.4435 ± 0.0012°
• γ: 90°
• Cell volume: 2168.85 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No