Information card for entry 2219994

Structure parameters

• Chemical name: <i>tert</i>-Butyl <i>N</i>-benzyl-<i>N</i>-[4-(4-fluorobenzoylmethyl)-2-pyridyl]carbamate
• Formula: C25 H25 F N2 O3
• Calculated formula: C25 H25 F N2 O3
• SMILES: c1(ccccc1)CN(c1nccc(c1)CC(=O)c1ccc(cc1)F)C(=O)OC(C)(C)C
• Title of publication: <i>tert</i>-Butyl <i>N</i>-benzyl-<i>N</i>-[4-(4-fluorobenzoylmethyl)-2-pyridyl]carbamate
• Authors of publication: Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2221
• a: 38.054 ± 0.007 Å
• b: 7.932 ± 0.0006 Å
• c: 14.589 ± 0.003 Å
• α: 90°
• β: 102.142 ± 0.008°
• γ: 90°
• Cell volume: 4305.1 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1932
• Residual factor for significantly intense reflections: 0.1104
• Weighted residual factors for significantly intense reflections: 0.287
• Weighted residual factors for all reflections included in the refinement: 0.3386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes