Information card for entry 7246556

Structure parameters

• Chemical name: isoq
• Formula: C21 H17 N O4
• Calculated formula: C21 H17 N O4
• Title of publication: Synthesis of 3,4-dihydroisoquinolin-1(2H)-one derivatives and their antioomycete activity against the phytopathogen Pythium recalcitrans
• Authors of publication: Wang, Delong; Li, Min; Li, Jing; Fang, Yali; Zhang, Zhijia
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 16
• Pages of publication: 10523 - 10541
• a: 8.6155 ± 0.0001 Å
• b: 13.2164 ± 0.0001 Å
• c: 15.0988 ± 0.0001 Å
• α: 90°
• β: 99.698 ± 0.001°
• γ: 90°
• Cell volume: 1694.67 ± 0.03 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 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: 0.0388
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No