Information card for entry 1545722

Structure parameters

• Formula: C30 H20 O7
• Calculated formula: C30 H20 O7
• SMILES: c12c(C3=C4c5c(C(=O)C=C4)c(O)ccc5[C@@]43c3c(C(=O)C[C@@H]4CC1=O)c(O)ccc3)cc(cc2O)CO.c12c(C3=C4c5c(C(=O)C=C4)c(O)ccc5[C@]43c3c(C(=O)C[C@H]4CC1=O)c(O)ccc3)cc(cc2O)CO
• Title of publication: Sequestration of Guest Intermediates by Dalesconol Bioassembly Lines in Daldinia eschscholzii.
• Authors of publication: Zhang, Ai Hua; Liu, Wen; Jiang, Nan; Wang, Xin Lei; Wang, Gang; Xu, Qiang; Tan, Ren Xiang
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 8
• Pages of publication: 2142 - 2145
• a: 7.3385 ± 0.0002 Å
• b: 11.972 ± 0.0003 Å
• c: 13.1171 ± 0.0003 Å
• α: 91.166 ± 0.001°
• β: 101.43 ± 0.001°
• γ: 96.569 ± 0.001°
• Cell volume: 1121.06 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No