Information card for entry 4036210

Structure parameters

• Formula: C19 H24 O5
• Calculated formula: C19 H24 O5
• SMILES: C[C@H]1CC=CCCCCC(=O)Cc2cc(cc(c2C(=O)O1)O)OC
• Title of publication: Total syntheses of the resorcylic acid lactone neocosmosin A and its enantiomer.
• Authors of publication: Zhang, Yiwen; Dlugosch, Michael; Jübermann, Martin; Banwell, Martin G.; Ward, Jas S.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 9
• Pages of publication: 4828 - 4833
• a: 5.183 ± 0.0001 Å
• b: 12.7946 ± 0.0002 Å
• c: 26.0924 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1730.3 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for all reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No