Information card for entry 7157021

Structure parameters

• Formula: C36 H29 N5 O2
• Calculated formula: C36 H29 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: 7.792 ± 0.0005 Å
• b: 12.8131 ± 0.0008 Å
• c: 14.7154 ± 0.0009 Å
• α: 96.214 ± 0.002°
• β: 96.001 ± 0.002°
• γ: 98.326 ± 0.002°
• Cell volume: 1434.32 ± 0.16 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No