Information card for entry 1556260

Structure parameters

• Formula: C28 H40 O6
• Calculated formula: C28 H40 O6
• SMILES: C12=CC(=O)C(=C3[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CC[C@@H](/C=C(/C[C@H](C[C@@H]([C@](O)(O1)C=C23)C)C)C)C)C)O)C)O
• Title of publication: Cytotoxic Kendomycins Containing the Carbacylic <i>Ansa</i> Scaffold from the Marine-Derived <i>Verrucosispora</i> sp. SCSIO 07399.
• Authors of publication: Zhang, Shanwen; Xie, Qing; Sun, Changli; Tian, Xin-Peng; Gui, Chun; Qin, Xiangjing; Zhang, Hua; Ju, Jianhua
• Journal of publication: Journal of natural products
• Year of publication: 2019
• a: 10.5277 ± 0.0003 Å
• b: 18.7745 ± 0.0006 Å
• c: 16.6567 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3292.2 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No