Information card for entry 1513374

Structure parameters

• Formula: C23 H24 O8
• Calculated formula: C23 H24 O8
• SMILES: O1C(=CC2C(=C1)[C@H](O)[C@@](O)(C(=O)C=2CC1C(=O)[C@](O)([C@@H](O)C2=COC(=CC=12)C)C)C)C
• Title of publication: Mycoleptones A-C and Polyketides from the Endophyte Mycoleptodiscus indicus.
• Authors of publication: Andrioli, Willian J.; Conti, Raphael; Araújo, Magali J; Zanasi, Riccardo; Cavalcanti, Bruno C.; Manfrim, Viviane; Toledo, Juliano S.; Tedesco, Daniele; de Moraes, Manoel O.; Pessoa, Cláudia; Cruz, Angela K.; Bertucci, Carlo; Sabino, José; Nanayakkara, Dhammika N. P.; Pupo, Mônica T; Bastos, Jairo K.
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 1
• Pages of publication: 70 - 78
• a: 10.4726 ± 0.006 Å
• b: 11.2226 ± 0.0026 Å
• c: 11.4289 ± 0.0021 Å
• α: 60.65 ± 0.017°
• β: 89.832 ± 0.034°
• γ: 67.745 ± 0.036°
• Cell volume: 1055.4 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.2989
• Weighted residual factors for all reflections included in the refinement: 0.322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.416
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No