Information card for entry 1568166

Structure parameters

• Formula: C33.5 H28 O6
• Calculated formula: C33.5 H28 O6
• Title of publication: A bioinspired, one-step total synthesis of peshawaraquinone.
• Authors of publication: Vieira de Castro, Tomás; Huang, David M.; Sumby, Christopher J.; Lawrence, Andrew L.; George, Jonathan H.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 950 - 954
• a: 17.659 ± 0.0002 Å
• b: 8.3859 ± 0.0001 Å
• c: 17.8047 ± 0.0002 Å
• α: 90°
• β: 92.68 ± 0.001°
• γ: 90°
• Cell volume: 2633.75 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0626
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No