Information card for entry 7150527

Structure parameters

• Formula: C18 H21 N O5
• Calculated formula: C18 H21 N O5
• SMILES: O1c2ccccc2[C@H]2N(OC[C@H]2C1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)O
• Title of publication: Highly diastereoselective desymmetrisation of cyclic meso-anhydrides and derivatisation for use in natural product synthesis
• Authors of publication: Evans, Amanda C.; Longbottom, Deborah A.; Matsuoka, Masato; Davies, John E.; Turner, Richard; Franckevičius, Vilius; Ley, Steven V.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 747 - 760
• a: 9.0302 ± 0.0003 Å
• b: 8.0096 ± 0.0003 Å
• c: 12.164 ± 0.0004 Å
• α: 90°
• β: 109.737 ± 0.001°
• γ: 90°
• Cell volume: 828.12 ± 0.05 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No