Information card for entry 7112874

Structure parameters

• Formula: C18 H16 N2
• Calculated formula: C18 H16 N2
• SMILES: c1c2n(cc(c2ccc1)c1c2ccccc2n(c1)C)C
• Title of publication: Oxidative dimerization of N-protected and free indole derivatives toward 3,3′-biindoles via Pd-catalyzed direct C‒H transformations
• Authors of publication: Li, Yang; Wang, Wen-Hua; Yang, Shang-Dong; Li, Bi-Jie; Feng, Chun; Shi, Zhang-Jie
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 4553
• a: 6.4851 ± 0.0013 Å
• b: 13.409 ± 0.003 Å
• c: 8.1723 ± 0.0016 Å
• α: 90°
• β: 109.73 ± 0.03°
• γ: 90°
• Cell volume: 668.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0533
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No