Information card for entry 2003417

Structure parameters

• Chemical name: N,N-diisopropyl(m,p-dimethylphenyl)glyoxylamide
• Formula: C16 H23 N O2
• Calculated formula: C16 H23 N O2
• SMILES: O=C(c1cc(c(cc1)C)C)C(=O)N(C(C)C)C(C)C
• Title of publication: Stereochemistry of Asymmetric β-Lactam Formation Involving Achiral Glyoxylamide Derivatives
• Authors of publication: Hashizume, D.; Kogo, H.; Sekine, A.; Ohashi, Y.; Miyamoto, H.; Toda, F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 929 - 933
• a: 16.3 ± 0.008 Å
• b: 6.331 ± 0.002 Å
• c: 7.461 ± 0.002 Å
• α: 90°
• β: 95.31 ± 0.05°
• γ: 90°
• Cell volume: 766.6 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.062
• Goodness-of-fit parameter for significantly intense reflections: 9.73
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No