Information card for entry 4078829

Structure parameters

• Formula: C21 H40 N2 O7 Si
• Calculated formula: C21 H40 N2 O7.225 Si
• Title of publication: Silicon-Containing Dipeptidic Aspartame and Neotame Analogues
• Authors of publication: Dörrich, Steffen; Falgner, Steffen; Schweeberg, Sarah; Burschka, Christian; Brodin, Peter; Wissing, Britt Marie; Basta, Babro; Schell, Peter; Bauer, Udo; Tacke, Reinhold
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 16
• Pages of publication: 5903
• a: 5.9861 ± 0.0006 Å
• b: 11.3755 ± 0.0013 Å
• c: 19.498 ± 0.002 Å
• α: 90°
• β: 96.921 ± 0.005°
• γ: 90°
• Cell volume: 1318 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No