Information card for entry 4029241

Structure parameters

• Formula: C14 H14 O5
• Calculated formula: C14 H14 O5
• SMILES: O=C1[C@@H](OC)[C@@H](OC)[C@@H](O)c2oc3ccccc3c12
• Title of publication: Chemoenzymatic Total Syntheses of Ribisins A, B, and D, Polyoxygenated Benzofuran Derivatives Displaying NGF-Potentiating Properties.
• Authors of publication: Lan, Ping; Banwell, Martin G; Willis, Anthony C
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 7
• Pages of publication: 2829 - 2842
• a: 10.2259 ± 0.0006 Å
• b: 4.7596 ± 0.0003 Å
• c: 13.9296 ± 0.0008 Å
• α: 90°
• β: 108.834 ± 0.003°
• γ: 90°
• Cell volume: 641.67 ± 0.07 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for all reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No