Information card for entry 7157027

Structure parameters

• Formula: C36 H28 Cl N5 O2
• Calculated formula: C36 H28 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: 7.9066 ± 0.0007 Å
• b: 12.8759 ± 0.0012 Å
• c: 15.1112 ± 0.0012 Å
• α: 93.932 ± 0.003°
• β: 100.459 ± 0.003°
• γ: 98.838 ± 0.003°
• Cell volume: 1487.5 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.1593
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No