Information card for entry 1504945

Structure parameters

• Formula: C14 H16 Cs N O7
• Calculated formula: C14 H16 Cs N O7
• Title of publication: An Ireland-Claisen approach to beta-alkoxy alpha-amino acids.
• Authors of publication: Tellam, James P.; Kociok-Köhn, Gabriele; Carbery, David R.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 22
• Pages of publication: 5199 - 5202
• a: 7.6258 ± 0.0002 Å
• b: 13.1985 ± 0.0003 Å
• c: 16.3312 ± 0.0005 Å
• α: 90°
• β: 100.566 ± 0.001°
• γ: 90°
• Cell volume: 1615.85 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No