Information card for entry 8106836

Structure parameters

• Chemical name: 6-Chloro-2,4-diphenylquinoline
• Formula: C21 H14 Cl N
• Calculated formula: C21 H14 Cl N
• SMILES: c1(nc2c(c(c1)c1ccccc1)cc(cc2)Cl)c1ccccc1
• Title of publication: The crystal structure of 6-chloro-2,4-diphenylquinoline
• Authors of publication: Van Tonder, Johannes; Visser, Hendrik G.; Koen, Renier
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 233 - 235
• a: 7.686 ± 0.005 Å
• b: 10.161 ± 0.005 Å
• c: 19.899 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1554.1 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No