Information card for entry 2104352

Structure parameters

• Chemical name: (6R,7aS)-6-(tert-Butyl-dimethyl-silanyloxy)-1-hydroxy-2-phenyl-5,6,7,7a- tetrahydro-pyrrolizin-3-one
• Formula: C19 H27 N O3 Si
• Calculated formula: C19 H27 N O3 Si
• Title of publication: A non-mathematical introduction to the superspace description of modulated structures
• Authors of publication: Wagner, Trixie; Schönleber, Andreas
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: 249 - 268
• a: 6.425 ± 0.002 Å
• b: 6.522 ± 0.002 Å
• c: 22.716 ± 0.006 Å
• α: 90°
• β: 90.739 ± 0.011°
• γ: 90°
• Cell volume: 951.8 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P21(\a0\g)0
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.0418
• Goodness-of-fit parameter for all reflections included in the refinement: 2.38
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes