Information card for entry 7112873

Structure parameters

• Formula: C18 H16 N2
• Calculated formula: C18 H16 N2
• SMILES: c1(c2c(n(c1)C)cccc2)c1n(c2c(c1)cccc2)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: 11.29 ± 0.002 Å
• b: 7.2745 ± 0.0015 Å
• c: 17.151 ± 0.003 Å
• α: 90°
• β: 96.63 ± 0.03°
• γ: 90°
• Cell volume: 1399.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0914
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No