Information card for entry 4026546

Structure parameters

• Common name: 04119
• Formula: C19 H26 O4
• Calculated formula: C19 H26 O4
• Title of publication: Total Synthesis of (\±)-Phomactin A. Lessons Learned from Respecting a Challenging Structural Topology
• Authors of publication: Grant S. Buchanan; Kevin P. Cole; Yu Tang; Richard P. Hsung
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 7027 - 7039
• a: 13.826 ± 0.001 Å
• b: 10.4515 ± 0.0009 Å
• c: 11.916 ± 0.001 Å
• α: 90°
• β: 106.751 ± 0.002°
• γ: 90°
• Cell volume: 1648.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.101
• 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: No
• Has Fobs: No