Information card for entry 4104983

Structure parameters

• Formula: C14 H26 O4
• Calculated formula: C14 H26 O4
• Title of publication: Concise Syntheses of the Natural Products (+)-Sylvaticin and (+)-cis-Sylvaticin
• Authors of publication: Timothy J. Donohoe; Robert M. Harris; Oliver Williams; Gráinne C. Hargaden; Jeremy Burrows; Jeremy Parker
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 12854 - 12861
• a: 19.4191 ± 0.0002 Å
• b: 19.4191 ± 0.0002 Å
• c: 16.2612 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6132.12 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Sample thermal history: The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.
• Number of distinct elements: 3
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No