Information card for entry 2238972

Structure parameters

• Chemical name: 8-{1-[(4'-Fluoro-[1,1'-biphenyl]-4-yl)methyl]piperidin-4-yl}-3,4-dihydroquinolin-2(1<i>H</i>)-one chloroform 0.25-solvate
• Formula: C27.25 H27.25 Cl0.75 F N2 O
• Calculated formula: C27.25 H27.25 Cl0.75 F N2 O
• Title of publication: 8-{1-[(4'-Fluoro-[1,1'-biphenyl]-4-yl)methyl]piperidin-4-yl}-3,4-dihydroquinolin-2(1<i>H</i>)-one chloroform 0.25-solvate
• Authors of publication: Ullah, Nisar; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o103 - o104
• a: 7.6955 ± 0.0008 Å
• b: 16.618 ± 0.002 Å
• c: 18.224 ± 0.002 Å
• α: 79.206 ± 0.009°
• β: 87.563 ± 0.009°
• γ: 83.976 ± 0.009°
• Cell volume: 2276.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.692
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes