Information card for entry 4038141

Structure parameters

• Formula: C18 H14 Cl N O2
• Calculated formula: C18 H14 Cl N O2
• Title of publication: Synthesis of 8-Alkoxy-5H-isochromeno[3,4-c]isoquinolines and 1-Alkoxy-4-arylisoquinolin-3-ols through Rh(III)-Catalyzed C-H Functionalization of Benzimidates with 4-Diazoisochroman-3-imines and 4-Diazoisoquinolin-3-ones.
• Authors of publication: Li, Zhenmin; Xie, Jianwei; Lu, Ping; Wang, Yanguang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 8.2025 ± 0.0004 Å
• b: 8.57 ± 0.0004 Å
• c: 12.1558 ± 0.0006 Å
• α: 99.418 ± 0.002°
• β: 99.192 ± 0.002°
• γ: 116.633 ± 0.002°
• Cell volume: 726.73 ± 0.06 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 169.98 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No