Information card for entry 1572693

Structure parameters

• Chemical name: Bowl-type scaffold
• Formula: C24 H28 N2 O4
• Calculated formula: C24 H28 N2 O4
• Title of publication: Direct photochemical intramolecular [4 + 2] cycloadditions of dehydrosecodine-type substrates for the synthesis of the iboga-type scaffold and divergent [2 + 2] cycloadditions employing micro-flow system
• Authors of publication: Tay, Gavin; Nishimura, Soushi; Oguri, Hiroki
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 10.4706 ± 0.0018 Å
• b: 11.081 ± 0.002 Å
• c: 18.106 ± 0.003 Å
• α: 90°
• β: 97.388 ± 0.004°
• γ: 90°
• Cell volume: 2083.3 ± 0.6 ų
• Cell temperature: 109 K
• Ambient diffraction temperature: 109 K
• Number of distinct elements: 4
• 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: 0.1976
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.2437
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No