Information card for entry 4113683

Structure parameters

• Formula: C17 H20 O4
• Calculated formula: C17 H19 O4
• Title of publication: Total Synthesis of the Quinone Epoxide Dimer (+)-Torreyanic Acid: Application of a Biomimetic Oxidation/Electrocyclization/Diels-Alder Dimerization Cascade1
• Authors of publication: Chaomin Li; Richard P. Johnson; John A. Porco
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 5095 - 5106
• a: 28.105 ± 0.003 Å
• b: 6.3582 ± 0.0006 Å
• c: 19.2691 ± 0.0018 Å
• α: 90°
• β: 117.599 ± 0.002°
• γ: 90°
• Cell volume: 3051.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No