Information card for entry 1517946

Structure parameters

• Formula: C14 H16 O6
• Calculated formula: C14 H16 O6
• SMILES: O1[C@@H](OC(=C\C=O)/c2ccccc2)[C@H](O)[C@@H](O)[C@H](O)C1
• Title of publication: Four into one: organocatalyzed stereoselective conjugate addition of unprotected and unactivated carbohydrates.
• Authors of publication: Matviitsuk, Anastassia; Berndt, Falko; Mahrwald, Rainer
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 20
• Pages of publication: 5474 - 5477
• a: 6.8338 ± 0.0003 Å
• b: 7.2865 ± 0.0003 Å
• c: 28.1501 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1401.72 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0548
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No