Information card for entry 7156007

Structure parameters

• Formula: C22 H44 N O7.5 S2.5 Si
• Calculated formula: C22 H44 N O7.5 S2.5 Si
• 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: 10.1923 ± 0.0018 Å
• b: 18.865 ± 0.003 Å
• c: 31 ± 0.006 Å
• α: 90°
• β: 91.926 ± 0.006°
• γ: 90°
• Cell volume: 5957.2 ± 1.8 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1555
• Residual factor for significantly intense reflections: 0.1069
• Weighted residual factors for significantly intense reflections: 0.279
• Weighted residual factors for all reflections included in the refinement: 0.3146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No