Information card for entry 7112729

Structure parameters

• Formula: C26 H34 O8
• Calculated formula: C26 H34 O8
• Title of publication: Potential Drug Abuse Therapeutics Derived from the Hallucinogenic Natural Product Salvinorin A.
• Authors of publication: Prevatt-Smith, Katherine M; Lovell, Kimberly M.; Simpson, Denise S.; Day, Victor W.; Douglas, Justin T.; Bosch, Peter; Dersch, Christina M.; Rothman, Richard B.; Kivell, Bronwyn; Prisinzano, Thomas E.
• Journal of publication: MedChemComm
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 12
• Pages of publication: 1217 - 1222
• a: 6.1944 ± 0.0001 Å
• b: 11.2496 ± 0.0003 Å
• c: 35.8673 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2499.4 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No