Information card for entry 4036328

Structure parameters

• Formula: C26 H36 O7
• Calculated formula: C26 H36 O7
• Title of publication: Divergent Total Syntheses of Rhodomyrtosones A and B.
• Authors of publication: Gervais, Anais; Lazarski, Kiel E.; Porco, Jr, John A
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 19
• Pages of publication: 9584 - 9591
• a: 10.9488 ± 0.0003 Å
• b: 11.2504 ± 0.0003 Å
• c: 20.0504 ± 0.0005 Å
• α: 90°
• β: 94.903 ± 0.002°
• γ: 90°
• Cell volume: 2460.74 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 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: 0.0904
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.202
• Weighted residual factors for all reflections included in the refinement: 0.2215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No