Information card for entry 2009304

Structure parameters

• Chemical name: Methyl (R,Z)-(1-phenylethylimino)acetate N-oxide
• Formula: C11 H13 N O3
• Calculated formula: C11 H13 N O3
• SMILES: COC(=O)C=N(=O)[C@H](C)c1ccccc1
• Title of publication: Methyl (<i>R</i>,<i>Z</i>)-(1-phenylethylimino)acetate <i>N</i>-oxide
• Authors of publication: Inouye, Yoshinobu; Ishimura, Tomoyuki
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2087 - 2088
• a: 12.653 ± 0.003 Å
• b: 8.0849 ± 0.0006 Å
• c: 5.5247 ± 0.0009 Å
• α: 90°
• β: 95.408 ± 0.008°
• γ: 90°
• Cell volume: 562.65 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.093
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.268
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections: 0.917
• Goodness-of-fit parameter for all reflections included in the refinement: 0.801
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No