Information card for entry 1505222

Structure parameters

• Formula: C25 H40.5 Cl O4.75
• Calculated formula: C25 H39 Cl O4.75
• Title of publication: Dehydroxychlorofusarielin B, an antibacterial polyoxygenated decalin derivative from the marine-derived fungus Aspergillus sp.
• Authors of publication: Nguyen, Hung Phi; Zhang, Dahai; Lee, Uk; Kang, Jung Sook; Choi, Hong Dae; Son, Byeng Wha
• Journal of publication: Journal of natural products
• Year of publication: 2007
• Journal volume: 70
• Journal issue: 7
• Pages of publication: 1188 - 1190
• a: 11.0682 ± 0.0006 Å
• b: 17.38 ± 0.001 Å
• c: 29.355 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5646.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2537
• Residual factor for significantly intense reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.2329
• Weighted residual factors for all reflections included in the refinement: 0.3119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No