Information card for entry 4032848

Structure parameters

• Formula: C16 H12 N2 O
• Calculated formula: C16 H12 N2 O
• SMILES: O=C(n1c2n(c3ccccc3c2)c2ccccc12)C
• Title of publication: Copper-Catalyzed Dehydrogenative C(sp(2))-N Bond Formation via Direct Oxidative Activation of an Anilidic N-H Bond: Synthesis of Benzoimidazo[1,2-a]indoles.
• Authors of publication: Wang, Xiaoxia; Li, Na; Li, Zhongfeng; Rao, Honghua
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 19
• Pages of publication: 10158 - 10166
• a: 16.957 ± 0.003 Å
• b: 7.7224 ± 0.0015 Å
• c: 18.204 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2383.8 ± 0.8 ų
• Cell temperature: 153.15 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No