Information card for entry 1554901

Structure parameters

• Formula: C20 H30 O4
• Calculated formula: C20 H30 O4
• SMILES: O1[C@@H]2[C@@]3(OC(=O)[C@H]([C@@]1(C=C[C@@](O)(CCC=C(CC2)C)C)CC3)C)C
• Title of publication: Sarcoglaucins A-I, new antifouling cembrane-type diterpenes from the South China Sea soft coral Sarcophyton glaucum
• Authors of publication: Zhang, Jing; Tang, Xuli; Han, Xiao; Feng, Danqing; Luo, Xiangchao; Ofwegen, Leen van; Li, Pinglin; Li, Guoqiang
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 2004
• a: 9.9964 ± 0.0003 Å
• b: 10.5385 ± 0.0003 Å
• c: 17.4587 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1839.22 ± 0.09 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.042
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No