Information card for entry 4034063

Structure parameters

• Formula: C16 H14 N2 O
• Calculated formula: C16 H14 N2 O
• SMILES: O=C(Nn1c2ccccc2cc1c1ccccc1)C
• Title of publication: Redox-Neutral Rhodium(III)-Catalyzed Annulation of Arylhydrazines with Sulfoxonium Ylides To Synthesize 2-Arylindoles.
• Authors of publication: Lv, Ningning; Chen, Zhengkai; Liu, Zhanxiang; Zhang, Yuhong
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 20
• Pages of publication: 13013 - 13021
• a: 10.3951 ± 0.0002 Å
• b: 9.1572 ± 0.0002 Å
• c: 14.132 ± 0.0003 Å
• α: 90°
• β: 104.577 ± 0.001°
• γ: 90°
• Cell volume: 1301.92 ± 0.05 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.01 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: 0.0582
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No