Information card for entry 7127382

Structure parameters

• Formula: C19 H16 N2
• Calculated formula: C19 H16 N2
• SMILES: n1(c2c(c3ccccc3)cnc(c2c2c1cccc2)C)C
• Title of publication: γ-Carboline synthesis enabled by Rh(iii)-catalysed regioselective C-H annulation.
• Authors of publication: Jiang, Bo; Jia, Jingwen; Sun, Yufei; Wang, Yichun; Zeng, Jing; Bu, Xiubin; Shi, Liangliang; Sun, Xiaoying; Yang, Xiaobo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 87
• Pages of publication: 13389 - 13392
• a: 17.2098 ± 0.0016 Å
• b: 7.3662 ± 0.0007 Å
• c: 22.672 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2874.1 ± 0.5 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 2 K
• Number of distinct elements: 3
• 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: 0.0997
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No