Information card for entry 7157029

Structure parameters

• Formula: C35 H25 Br Cl N5 O2
• Calculated formula: C35 H25 Br Cl N5 O2
• Title of publication: Diastereoselective synthesis of spirocyclic isoxazolo[5,4-c]pyrrolo[2,1-a]isoquinolines via cascade double [3 + 2]cycloadditions.
• Authors of publication: Liu, Dan; Sun, Jing; Zhang, Yu; Yan, Chao-Guo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 34
• Pages of publication: 8008 - 8013
• a: 7.9255 ± 0.001 Å
• b: 12.9254 ± 0.0015 Å
• c: 15.224 ± 0.002 Å
• α: 92.788 ± 0.004°
• β: 101.518 ± 0.004°
• γ: 99.593 ± 0.004°
• Cell volume: 1501.3 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1237
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.2009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7157022
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No