Information card for entry 2003926

Structure parameters

• Chemical name: (1RS,2RS,9RS,10SR,14RS)-9-acetoxy-11-oxatricyclo[8.4.0.0^2,9^]tetradec-6,7-diol
• Formula: C15 H24 O5
• Calculated formula: C15 H24 O5
• SMILES: O[C@@]12[C@@H](O)CCO[C@@H]1[C@@]1(OC(=O)C)[C@@H]2CCCCCC1.O[C@]12[C@H](O)CCO[C@H]1[C@]1(OC(=O)C)[C@H]2CCCCCC1
• Title of publication: Stereochemistry of Hydroxylation Reactions on Polycyclic Pyrans
• Authors of publication: Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 9
• Pages of publication: 1885 - 1889
• a: 17.631 ± 0.007 Å
• b: 11.843 ± 0.004 Å
• c: 6.984 ± 0.001 Å
• α: 90°
• β: 92.36 ± 0.03°
• γ: 90°
• Cell volume: 1457 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections: 0.1826
• Weighted residual factors for significantly intense reflections: 0.1553
• Goodness-of-fit parameter for all reflections: 1.075
• Goodness-of-fit parameter for significantly intense reflections: 1.112
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: Cu-Kα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No