Information card for entry 2237829

Structure parameters

• Chemical name: 4-(Adamantan-1-yl)-2-(4-fluorophenyl)quinoline
• Formula: C25 H24 F N
• Calculated formula: C25 H24 F N
• SMILES: Fc1ccc(c2nc3c(c(c2)C24CC5CC(C2)CC(C4)C5)cccc3)cc1
• Title of publication: 4-(Adamantan-1-yl)-2-(4-fluorophenyl)quinoline
• Authors of publication: Kozubková, Zuzana; Babjaková, Eva; Bartoš, Peter; Vícha, Robert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o882
• a: 6.4604 ± 0.0003 Å
• b: 10.9964 ± 0.0004 Å
• c: 12.9074 ± 0.0005 Å
• α: 93.205 ± 0.003°
• β: 96.446 ± 0.003°
• γ: 100.507 ± 0.003°
• Cell volume: 893.14 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0451
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes