Information card for entry 8104908

Structure parameters

• Chemical name: Crystal structure of 4-ethyl-3-phenylisoquinolin-1(2H)-one
• Formula: C17 H15 N O
• Calculated formula: C34 H30 N2 O2
• Title of publication: Crystal structure of 4-ethyl-3-phenylisoquinolin-1(2H)-one, C17H15NO
• Authors of publication: Lin, Hui-Mei; Peng, Jia-Yin; Zou, Ting-Guang; Xu, Wan-Yi; Tao, Yi-Wen; Lai, Bao-Long
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 155 - 156
• a: 19.197 ± 0.002 Å
• b: 8.0719 ± 0.0008 Å
• c: 16.6511 ± 0.0018 Å
• α: 90°
• β: 100.171 ± 0.01°
• γ: 90°
• Cell volume: 2539.6 ± 0.5 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0472
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No