Information card for entry 2234385

Structure parameters

• Common name: 7-oxo-3-phenyl-2,6-dioxabicyclo[3.3.1]nonan-4-yl acetate
• Chemical name: 8-<i>O</i>-Acetyl-8-<i>epi</i>-9-deoxygoniopypyrone
• Formula: C15 H16 O5
• Calculated formula: C15 H16 O5
• SMILES: O1C(=O)C[C@@H]2O[C@H]([C@H](OC(=O)C)[C@H]1C2)c1ccccc1
• Title of publication: 8-<i>O</i>-Acetyl-8-<i>epi</i>-9-deoxygoniopypyrone
• Authors of publication: Fun, Hoong-Kun; Chantrapromma, Suchada; Prawat, Uma; Boonnak, Nawong; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1072 - o1073
• a: 10.1013 ± 0.0003 Å
• b: 5.7749 ± 0.0002 Å
• c: 11.2295 ± 0.0003 Å
• α: 90°
• β: 95.207 ± 0.001°
• γ: 90°
• Cell volume: 652.36 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0274
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes