Information card for entry 7154203

Structure parameters

• Chemical name: 9-(4-Fluorophenyl)-9<i>H</i>-pyrido[2,3-b]indole
• Formula: C17 H11 F N2
• Calculated formula: C17 H11 F N2
• Title of publication: Efficient synthesis of α- and δ-carbolines by sequential Pd-catalyzed site-selective C-C and twofold C-N coupling reactions.
• Authors of publication: Hung, Tran Quang; Dang, Tuan Thanh; Janke, Julia; Villinger, Alexander; Langer, Peter
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1375 - 1386
• a: 6.2637 ± 0.0004 Å
• b: 9.6026 ± 0.0006 Å
• c: 11.1057 ± 0.0008 Å
• α: 78.235 ± 0.004°
• β: 81.016 ± 0.004°
• γ: 74.565 ± 0.004°
• Cell volume: 626.68 ± 0.07 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: 0.1111
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No