Information card for entry 1555945

Structure parameters

• Formula: C16 H12 N2 O2
• Calculated formula: C16 H12 N2 O2
• SMILES: N1c2ccccc2C(=O)C21C(=O)N(c1c2cccc1)C
• Title of publication: Copper-Catalyzed Oxidative Dearomatization/Spirocyclization of Indole-2-Carboxamides: Synthesis of 2-Spiro-pseudoindoxyls.
• Authors of publication: Kong, Lingkai; Wang, Mengdan; Zhang, Fangfang; Xu, Murong; Li, Yanzhong
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 6124 - 6127
• a: 23.889 ± 0.007 Å
• b: 10.077 ± 0.003 Å
• c: 12.378 ± 0.003 Å
• α: 90°
• β: 119.348 ± 0.009°
• γ: 90°
• Cell volume: 2597.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No