Information card for entry 1558008

Structure parameters

• Formula: C22 H34 O6
• Calculated formula: C22 H34 O6
• SMILES: O[C@H]1/C(=C/CC/C(=C\[C@H]2[C@H](C1)C(=C)CC[C@H]2C(C)C)C(=O)OC)C(=O)O.OC
• Title of publication: <i>Streptomyces albogriseolus</i> SY67903 Produces Eunicellin Diterpenoids Structurally Similar to Terpenes of the Gorgonian <i>Muricella sibogae</i>, the Bacterial Source.
• Authors of publication: Ma, Lie-Feng; Chen, Meng-Jia; Liang, Dong-E; Shi, Lin-Mei; Ying, You-Min; Shan, Wei-Guang; Li, Guo-Qiang; Zhan, Zha-Jun
• Journal of publication: Journal of natural products
• Year of publication: 2020
• Journal volume: 83
• Journal issue: 5
• Pages of publication: 1641 - 1645
• a: 9.2746 ± 0.0003 Å
• b: 10.2656 ± 0.0003 Å
• c: 22.5834 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2150.15 ± 0.12 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 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: 0.0302
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No