Information card for entry 2013205

Structure parameters

• Common name: N-(1-Naphthylacetyl)glycine phenacyl ester
• Formula: C22 H19 N O4
• Calculated formula: C22 H19 N O4
• SMILES: O(C(=O)CNC(=O)Cc1c2c(cccc2)ccc1)CC(=O)c1ccccc1
• Title of publication: <i>N</i>-(1-Naphthylacetyl)glycine phenacyl ester and phenacyl (1-naphthylacetoxy)acetate
• Authors of publication: Zabadal Miroslav; Heger Dominik; Nečas Marek; Klán Petr
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o77 - o79
• a: 9.1467 ± 0.0018 Å
• b: 16.102 ± 0.003 Å
• c: 24.318 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3581.6 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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 all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes