Information card for entry 4104248

Structure parameters

• Formula: C21 H30 O3
• Calculated formula: C21 H30 O3
• Title of publication: Biomimetic Synthesis and Structural Reassignment of the Tridachiahydropyrones
• Authors of publication: Pallavi Sharma; Barry Lygo; William Lewis; John E. Moses
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 5966 - 5972
• a: 10.2794 ± 0.0012 Å
• b: 11.535 ± 0.0014 Å
• c: 16.1121 ± 0.0019 Å
• α: 90°
• β: 96.466 ± 0.002°
• γ: 90°
• Cell volume: 1898.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No