Information card for entry 7157017

Structure parameters

• Formula: C36 H30 Cl2 N4 O3
• Calculated formula: C36 H30 Cl2 N4 O3
• 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: 11.917 ± 0.003 Å
• b: 17.27 ± 0.005 Å
• c: 15.382 ± 0.004 Å
• α: 90°
• β: 92.563 ± 0.009°
• γ: 90°
• Cell volume: 3162.6 ± 1.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1209
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.2138
• Weighted residual factors for all reflections included in the refinement: 0.2328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No