Information card for entry 1504844

Structure parameters

• Chemical name: 1-Benzyl-4-phenyl-1,5,6,7-tetrahydro-[1]pyrindin-2-one
• Formula: C19 H17 N O
• Calculated formula: C19 H17 N O
• SMILES: O=c1n(Cc2ccccc2)c(cc(c1)c1ccccc1)C
• Title of publication: Convergent and rapid assembly of substituted 2-pyridones through formation of N-alkenyl alkynylamides followed by gold-catalyzed cycloisomerization.
• Authors of publication: Imase, Hidetomo; Noguchi, Keiichi; Hirano, Masao; Tanaka, Ken
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 16
• Pages of publication: 3563 - 3566
• a: 9.41594 ± 0.00017 Å
• b: 9.23042 ± 0.00017 Å
• c: 17.4324 ± 0.0003 Å
• α: 90°
• β: 102.54 ± 0.001°
• γ: 90°
• Cell volume: 1478.96 ± 0.05 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No