Information card for entry 1572692

Structure parameters

• Formula: C19 H30 Cl2 Fe N7 P3
• Calculated formula: C19 H30 Cl2 Fe N7 P3
• 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: 10.9336 ± 0.0004 Å
• b: 17.7838 ± 0.0005 Å
• c: 13.0108 ± 0.0004 Å
• α: 90°
• β: 102.254 ± 0.003°
• γ: 90°
• Cell volume: 2472.19 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0385
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No