Information card for entry 7157020

Structure parameters

• Formula: C36 H27 N3 O3
• Calculated formula: C36 H27 N3 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: 9.539 ± 0.0012 Å
• b: 20.876 ± 0.003 Å
• c: 14.712 ± 0.002 Å
• α: 90°
• β: 108.212 ± 0.005°
• γ: 90°
• Cell volume: 2782.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1255
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No