Information card for entry 7157025

Structure parameters

• Formula: C35 H28 Br N3 O4
• Calculated formula: C35 H28 Br N3 O4
• 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: 15.553 ± 0.0009 Å
• b: 8.7812 ± 0.0006 Å
• c: 22.8541 ± 0.0013 Å
• α: 90°
• β: 106.896 ± 0.0017°
• γ: 90°
• Cell volume: 2986.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1433
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No