Information card for entry 2009443

Structure parameters

• Chemical name: 2-hydroxy-6,7:9,10-cis,cis-diepoxy-1-oxaspiro[4.5]decan-8-one
• Formula: C9 H10 O5
• Calculated formula: C9 H10 O5
• SMILES: O[C@@H]1CCC2(O1)[C@@H]1O[C@@H]1C(=O)[C@H]1[C@@H]2O1.O[C@H]1CCC2(O1)[C@H]1O[C@H]1C(=O)[C@@H]1[C@H]2O1
• Title of publication: Structure of a model for the aranorosin nucleus
• Authors of publication: Haltiwanger, R. Curtis; Eggleston, Drake S.; McKillop, Andrew; Taylor, R.J.K.; Watson, R.J.; Lewis, Norman
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 274 - 276
• a: 14.664 ± 0.006 Å
• b: 6.319 ± 0.001 Å
• c: 19.44 ± 0.007 Å
• α: 90°
• β: 107.86 ± 0.02°
• γ: 90°
• Cell volume: 1714.5 ± 1 ų
• Cell temperature: 223 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 significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.074
• Goodness-of-fit parameter for significantly intense reflections: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No