Information card for entry 2100486

Structure parameters

• Formula: C22 H20 O3
• Calculated formula: C22 H20 O3
• Title of publication: The incommensurately modulated structure of a tricyclic natural-product-like compound of empirical formula C~22~H~20~O~3~
• Authors of publication: Cyril A. Fuhre; Kurt Schenk; Robert Häner; Gervais Chapuis; Nicolas Guiblin; Helen Stoeckli-Evans
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: 506 - 512
• a: 7.2527 ± 0.0009 Å
• b: 24.951 ± 0.003 Å
• c: 9.8959 ± 0.001 Å
• α: 90°
• β: 106.645 ± 0.008°
• γ: 90°
• Cell volume: 1715.7 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P21/c(\a0\g)00
• Residual factor for all reflections: 0.1411
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 0.79
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes