Information card for entry 7158730

Structure parameters

• Formula: C23 H24 O7
• Calculated formula: C23 H24 O7
• SMILES: o1c(=O)c2C=C3c4c(c(O)cc(O)c4C)C(=O)OC3(Oc2c(c1CCCCC)C)C
• Title of publication: Pyrone and isocoumarin derivatives from the endophytic fungus <i>Cytospora rhizophorae</i>.
• Authors of publication: Liu, Hongxin; Zhang, Yanjiang; Chen, Yuchan; Liu, Zhaoming; Tan, Haibo; Zhang, Weimin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 24
• Pages of publication: 4900 - 4904
• a: 12.2709 ± 0.0005 Å
• b: 15.7729 ± 0.0005 Å
• c: 10.1394 ± 0.0003 Å
• α: 90°
• β: 96.603 ± 0.003°
• γ: 90°
• Cell volume: 1949.44 ± 0.12 ų
• Cell temperature: 106.6 ± 0.8 K
• Ambient diffraction temperature: 106.6 ± 0.8 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No