Information card for entry 1516777

Structure parameters

• Formula: C27 H30 O6
• Calculated formula: C27 H30 O6
• Title of publication: Syntheses of Cyclotriveratrylene Analogues and Their Long Elusive Triketone Congeners.
• Authors of publication: Wright, Nathan E.; ElSohly, Adel M.; Snyder, Scott A.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 14
• Pages of publication: 3644
• a: 20.637 ± 0.003 Å
• b: 20.637 ± 0.003 Å
• c: 4.4453 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1639.6 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 3
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No