Information card for entry 4109235

Structure parameters

• Formula: C15 H22 O4
• Calculated formula: C14.999 H22 O4
• Title of publication: The Total Synthesis of Spirotenuipesines A and B
• Authors of publication: Mingji Dai; Samuel J. Danishefsky
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 3498 - 3499
• a: 10.5 ± 0.002 Å
• b: 10.555 ± 0.002 Å
• c: 13.766 ± 0.003 Å
• α: 68.292 ± 0.004°
• β: 82.567 ± 0.004°
• γ: 77.468 ± 0.003°
• Cell volume: 1381.7 ± 0.5 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1674
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.2054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No