Information card for entry 1545932

Structure parameters

• Formula: C32 H24 O8
• Calculated formula: C32 H24 O8
• SMILES: O=C1C=CC2=C3[C@@]4(c5c2c1c(O)cc5)c1cccc(O)c1C(=O)C[C@H]4CC(=O)c1c3cc2c(c1O)COC2.OC.O=C1C=CC2=C3[C@]4(c5c2c1c(O)cc5)c1cccc(O)c1C(=O)C[C@@H]4CC(=O)c1c3cc2c(c1O)COC2.OC
• 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: 8.5702 ± 0.0002 Å
• b: 19.8368 ± 0.0008 Å
• c: 13.8839 ± 0.0005 Å
• α: 90°
• β: 93.903 ± 0.003°
• γ: 90°
• Cell volume: 2354.86 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0654
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No