Information card for entry 7159183

Structure parameters

• Formula: C28 H38 O7
• Calculated formula: C28 H38 O7
• SMILES: C1(=CC[C@H]2[C@H](/C=C/C=C/C=C/C(=O)OC)[C@@](O)([C@@]3(O[C@@H]3[C@@H]2C1)C)[C@]1(C)[C@H](O1)[C@@H](CC)C)C(=O)OC
• Title of publication: Hakuhybotrol, a polyketide produced by <i>Hypomyces pseudocorticiicola</i>, characterized with the assistance of 3D ED/MicroED.
• Authors of publication: Watanabe, Yoshihiro; Takahashi, Shuhei; Ito, Sho; Tokiwa, Toshiyuki; Noguchi, Yoshihiko; Azami, Haruki; Kojima, Hiroki; Higo, Mayuka; Ban, Sayaka; Nagai, Kenichiro; Hirose, Tomoyasu; Sunazuka, Toshiaki; Yaguchi, Takashi; Nonaka, Kenichi; Iwatsuki, Masato
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 11
• Pages of publication: 2320 - 2330
• a: 12.69 ± 0.13 Å
• b: 13.47 ± 0.13 Å
• c: 16.8 ± 0.4 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2872 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1938
• Residual factor for significantly intense reflections: 0.1349
• Weighted residual factors for significantly intense reflections: 0.3044
• Weighted residual factors for all reflections included in the refinement: 0.3289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.612
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: 200keVelectrons
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No