Information card for entry 4133895

Structure parameters

• Formula: C15 H24 O2
• Calculated formula: C15 H24 O2
• SMILES: O1[C@@]2(CC[C@]34[C@@H](CC[C@@H]3[C@]1([C@@H](O)[C@H]2C4)C)C)C
• Title of publication: Genome Mining of Alkaloidal Terpenoids from a Hybrid Terpene and Nonribosomal Peptide Biosynthetic Pathway.
• Authors of publication: Yee, Danielle A.; Kakule, Thomas B.; Cheng, Wei; Chen, Mengbin; Chong, Christine T. Y.; Hai, Yang; Hang, Leibniz F.; Hung, Yiu-Sun; Liu, Nicholas; Ohashi, Masao; Okorafor, Ikechukwu C.; Song, Yongxiang; Tang, ManCheng; Zhang, Zhuan; Tang, Yi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 9.1845 ± 0.0002 Å
• b: 11.3146 ± 0.0002 Å
• c: 12.5358 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1302.71 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0297
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No