Information card for entry 7226006

Structure parameters

• Formula: C14 H12 O6
• Calculated formula: C14 H12 O6
• SMILES: Oc1c2c(cc(OC)c1)C1=C(O)C(=O)CC1(OC2=O)C
• Title of publication: Altenusin Derivatives from Mangrove Endophytic Fungus Alternaria sp. SK6YW3L
• Authors of publication: Liu, Yayue; Wu, Yingnan; Zhai, Rui; Liu, Zhaoming; Huang, Xishan; She, Zhi-Gang
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.2401 ± 0.0003 Å
• b: 12.8808 ± 0.0005 Å
• c: 10.0633 ± 0.0003 Å
• α: 90°
• β: 93.788 ± 0.003°
• γ: 90°
• Cell volume: 1195.12 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No