Information card for entry 8101487

Structure parameters

• Formula: C19 H20 O4
• Calculated formula: C19 H20 O4
• SMILES: O1[C@@H]2[C@H](OCc3ccccc3)[C@@H](OC2)[C@H]1[C@@H](O)c1ccccc1
• Title of publication: Crystal structure of (1S,3S,4R,7S)-7-benzyloxy-3-[(1S)-1-hydroxy-1- phenylmethyl]-2,5-dioxabicyclo[2.2.1]heptane, C19H20O4
• Authors of publication: Frey, Wolfgang; Remen, Lubos; Jäger, Volker; Gracza, Tibor
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 257 - 258
• a: 23.485 ± 0.002 Å
• b: 23.485 ± 0.002 Å
• c: 5.807 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3202.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: I 43
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1064
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No