Information card for entry 7243784

Structure parameters

• Formula: C22 H18 N2
• Calculated formula: C22 H18 N2
• SMILES: [nH]1c2ccc(cc2c(/N=C/c2ccccc2)c1c1ccccc1)C
• Title of publication: An iron(iii)-catalyzed dehydrogenative cross-coupling reaction of indoles with benzylamines to prepare 3-aminoindole derivatives
• Authors of publication: Chen, Wei-Li; Li, Kun; Liao, Wei-Cong; Liang, Wang-Fu; Qiu, Pei-Wen; Liang, Cui; Su, Gui-Fa; Mo, Dong-Liang
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 23
• Pages of publication: 9610 - 9616
• a: 9.87 ± 0.04 Å
• b: 20.34 ± 0.08 Å
• c: 8.95 ± 0.04 Å
• α: 90 ± 0.07°
• β: 108.57 ± 0.07°
• γ: 90 ± 0.08°
• Cell volume: 1703 ± 12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• 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: 0.1015
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.2176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No