Information card for entry 3000314

Structure parameters

• Formula: C10 H14 Br N O4
• Title of publication: (2S,4S)-2-amino-4-(4-bromophenyl)-4-hydroxybutanoic acid
• Authors of publication: Ellis, Jonathan; Campbell, Meghan; Kumar, Prasanth; Geunes, Eric; Buller, Andrew
• Journal of publication: To be published
• a: 7.4261 ± 0.0018 Å
• b: 5.3296 ± 0.0016 Å
• c: 15.004 ± 0.004 Å
• α: 90°
• β: 104.077 ± 0.015°
• γ: 90°
• Cell volume: 576 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0145
• Residual factor for significantly intense reflections: 0.0143
• Weighted residual factors for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.0389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No