Information card for entry 7151015

Structure parameters

• Formula: C23 H23 N O8
• Calculated formula: C23 H23 N O8
• SMILES: O1[C@H]2C(=CC1=O)Cc1c([C@@H]([C@H](O)[C@H](OC(=O)c3ccc(N(=O)=O)cc3)C2)CCC)coc1.O1[C@@H]2C(=CC1=O)Cc1c([C@H]([C@@H](O)[C@@H](OC(=O)c3ccc(N(=O)=O)cc3)C2)CCC)coc1
• Title of publication: Synthetic studies on the cornexistins: synthesis of (±)-5-epi-hydroxycornexistin
• Authors of publication: Clark, J. Stephen; Northall, John M.; Marlin, Frédéric; Nay, Bastien; Wilson, Claire; Blake, Alexander J.; Waring, Michael J.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 21
• Pages of publication: 4012 - 4025
• a: 7.2351 ± 0.0007 Å
• b: 25.532 ± 0.002 Å
• c: 12.0626 ± 0.0012 Å
• α: 90°
• β: 104.539 ± 0.002°
• γ: 90°
• Cell volume: 2156.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No