Information card for entry 2011444

Structure parameters

• Formula: C16 H23 N O8
• Calculated formula: C16 H23 N O8
• Title of publication: 1,2,7,8-Tetra-<i>O</i>-acetylaustraline
• Authors of publication: Gainsford, Graeme J.; Furneaux, Richard H.; Mason, Jenny M.; Tyler, Peter C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: e477 - e478
• a: 9.586 ± 0.003 Å
• b: 8.279 ± 0.002 Å
• c: 11.096 ± 0.005 Å
• α: 90°
• β: 99.74 ± 0.02°
• γ: 90°
• Cell volume: 867.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes