Information card for entry 2007524

Structure parameters

• Formula: C11 H15 N O4
• Calculated formula: C11 H15 N O4
• SMILES: O=C1OC[C@@H]2N1CCC1=C2CC[C@@H]([C@@H]1O)O
• Title of publication: (7<i>R</i>,8<i>S</i>,10b<i>R</i>)-7,8-Dihydroxy-1,5,6,7,8,9,10,10b-octahydro-3<i>H</i>-1,3-oxazolo[4,3-<i>a</i>]isoquinolin-3-one
• Authors of publication: Abboud, Khalil A.; Butora, Gabor; Fearnley, Stephen P.; Gum, Andrew G.; Stabile, Michele R.; Hudlicky, Tomas
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1162 - 1164
• a: 8.519 ± 0.002 Å
• b: 9.315 ± 0.002 Å
• c: 13.429 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1065.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.074
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No