Information card for entry 7156005

Structure parameters

• Formula: C18 H24 O7
• Calculated formula: C18 H24 O7
• SMILES: O(c1c(OC)cc(cc1OC)[C@@H](OC(=O)OC)C=C)C(=O)C(C)(C)C
• Title of publication: Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.
• Authors of publication: Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 2
• Pages of publication: 266 - 273
• a: 12.308 ± 0.007 Å
• b: 6.22 ± 0.003 Å
• c: 13.145 ± 0.007 Å
• α: 90°
• β: 108.591 ± 0.011°
• γ: 90°
• Cell volume: 953.8 ± 0.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No