Information card for entry 4035881

Structure parameters

• Formula: C19 H26 O3
• Calculated formula: C19 H26 O3
• SMILES: O=C([C@H]1CC[C@H]2C(CCC[C@]12C)(C)C)Cc1c(=O)ccoc1
• Title of publication: Maximumins A-D, Rearranged Labdane-Type Diterpenoids with Four Different Carbon Skeletons from Amomum maximum.
• Authors of publication: Ji, Kai-Long; Fan, Yao-Yue; Ge, Zhan-Peng; Sheng, Li; Xu, You-Kai; Gan, Li-She; Li, Jing-Ya; Yue, Jian-Min
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 1
• Pages of publication: 282 - 288
• a: 6.3688 ± 0.0001 Å
• b: 12.2935 ± 0.0002 Å
• c: 21.2458 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1663.44 ± 0.05 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 169.99 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: 0.046
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No