Information card for entry 7160072

Structure parameters

• Formula: C23 H18 I2 O2
• Calculated formula: C23 H18 I2 O2
• Title of publication: Synthesis of fused-pyran derivatives <i>via</i> a base-mediated annulation of bis-allenoates followed by auto-oxidation in air.
• Authors of publication: Zhao, Jun-Bo; Yang, Jing-Kui
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 32
• Pages of publication: 6543 - 6549
• a: 16.5721 ± 0.0019 Å
• b: 8.3586 ± 0.0008 Å
• c: 17.0294 ± 0.0019 Å
• α: 90°
• β: 92.605 ± 0.004°
• γ: 90°
• Cell volume: 2356.5 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No