Information card for entry 2003416

Structure parameters

• Common name: N,N-diisopropyl(p-methylphenyl)glyoxylamide
• Formula: C15 H21 N O2
• Calculated formula: C15 H21 N O2
• SMILES: O=C(c1ccc(cc1)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: 15.438 ± 0.002 Å
• b: 15.343 ± 0.002 Å
• c: 12.685 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3004.6 ± 0.6 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.074
• Goodness-of-fit parameter for significantly intense reflections: 6.3
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No