Information card for entry 7158930

Structure parameters

• Formula: C18 H14 Br N O3
• Calculated formula: C18 H14 Br N O3
• Title of publication: Rh(II)-Catalyzed Synthesis of 5H-Isochromeno[3,4-b]indolizines from 4-Diazoisochroman-3-imines and Pyridines
• Authors of publication: Wang, Yingxiao; Xie, Jianwei; Lu, Ping; Wang, Yanguang
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 17.155 ± 0.005 Å
• b: 4.3367 ± 0.0014 Å
• c: 21.762 ± 0.007 Å
• α: 90°
• β: 110.294 ± 0.014°
• γ: 90°
• Cell volume: 1518.5 ± 0.8 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• 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: 0.0233
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No