Information card for entry 4128461

Structure parameters

• Common name: KH_4_145_2
• Chemical name: maimone69
• Formula: C15 H22 O4
• Calculated formula: C15 H22 O4
• SMILES: [C@]1(C([C@]23[C@@H](C[C@H]([C@@]42C[C@H]1OC(=O)[C@H]34)C)O)(C)C)(C)O
• Title of publication: Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.
• Authors of publication: Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 7
• Pages of publication: 3083 - 3099
• a: 6.7812 ± 0.0003 Å
• b: 11.9069 ± 0.0005 Å
• c: 16.4542 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1328.56 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0308
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No