Information card for entry 1544475

Structure parameters

• Formula: C22 H36 O7
• Calculated formula: C22 H36 O7
• Title of publication: Micromonohalimanes A and B: Antibacterial Halimane-Type Diterpenoids from a Marine Micromonospora Species
• Authors of publication: Zhang, Yan; Adnani, Navid; Braun, Doug R.; Ellis, Gregory A.; Barns, Kenneth J.; Parker-Nance, Shirley; Guzei, Ilia A.; Bugni, Tim S.
• Journal of publication: Journal of Natural Products
• Year of publication: 2016
• a: 9.2381 ± 0.0005 Å
• b: 6.9763 ± 0.0006 Å
• c: 16.891 ± 0.0008 Å
• α: 90°
• β: 90.987 ± 0.003°
• γ: 90°
• Cell volume: 1088.43 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No