Information card for entry 1504934

Structure parameters

• Formula: C19 H18 O5
• Calculated formula: C19 H18 O5
• SMILES: O1c2cc3[C@H]([C@@H](C(=O)Oc3cc2OC1)CC)c1ccc(OC)cc1
• Title of publication: Asymmetric cycloadditions of o-quinone methides employing chiral ammonium fluoride precatalysts.
• Authors of publication: Alden-Danforth, Ethan; Scerba, Michael T.; Lectka, Thomas
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 21
• Pages of publication: 4951 - 4953
• a: 7.0712 ± 0.0002 Å
• b: 13.0588 ± 0.0003 Å
• c: 17.1676 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1585.28 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.034
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No