Information card for entry 1501837

Structure parameters

• Formula: C28 H40 O4
• Calculated formula: C28 H40 O4
• SMILES: C1(=O)/C=C/C(=C/C=C/[C@@H](C/C=C/[C@@H]([C@@H](C[C@H](/C=C\C=C\C[C@H](/C=C/CC)O1)O)O)C)C)C
• Title of publication: Diverse metabolic profiles of a Streptomyces strain isolated from a hyper-arid environment.
• Authors of publication: Rateb, Mostafa E.; Houssen, Wael E.; Harrison, William T. A.; Deng, Hai; Okoro, Chinyere K.; Asenjo, Juan A.; Andrews, Barbara A.; Bull, Alan T.; Goodfellow, Michael; Ebel, Rainer; Jaspars, Marcel
• Journal of publication: Journal of natural products
• Year of publication: 2011
• Journal volume: 74
• Journal issue: 9
• Pages of publication: 1965 - 1971
• a: 8.8119 ± 0.0005 Å
• b: 11.8088 ± 0.0004 Å
• c: 25.8659 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2691.6 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• 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: 0.0627
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No