Information card for entry 7122718

Structure parameters

• Formula: C18 H14 Cl N3
• Calculated formula: C18 H14 Cl N3
• Title of publication: Cobalt-catalyzed cross-dehydrogenative coupling between N-(2-pyridyl) and free indoles for the synthesis of unsymmetrical 2,2′-biindoles
• Authors of publication: Li, Ting; Yang, Yuhan; Li, Bo; Yang, Ping
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.2962 ± 0.0007 Å
• b: 9.3721 ± 0.0008 Å
• c: 9.4578 ± 0.0007 Å
• α: 90.096 ± 0.006°
• β: 109.097 ± 0.007°
• γ: 101.608 ± 0.007°
• Cell volume: 760.7 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No