Information card for entry 4020879

Structure parameters

• Formula: C15 H16 O5
• Calculated formula: C15 H16 O5
• SMILES: O=C1O[C@H]2OCC[C@@H]([C@H]2[C@@H]1C(=O)OC)c1ccccc1.O=C1O[C@@H]2OCC[C@H]([C@@H]2[C@H]1C(=O)OC)c1ccccc1
• Title of publication: Stereoselective Approach to C-Aryl Pyranoside Synthesis Which Addresses the Problem of C7-Substitution in Blepharocalyxin E
• Authors of publication: Sidika Polat Cakir; Keith T. Mead
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 2203 - 2205
• a: 8.82 ± 0.003 Å
• b: 8.86 ± 0.003 Å
• c: 9.678 ± 0.003 Å
• α: 66.573 ± 0.006°
• β: 85.647 ± 0.007°
• γ: 74.639 ± 0.006°
• Cell volume: 668.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No