Information card for entry 2013206

Structure parameters

• Common name: Phenacyl (1-naphthylacetoxy)acetate
• Formula: C22 H18 O5
• Calculated formula: C22 H18 O5
• SMILES: O=C(OCC(=O)c1ccccc1)COC(=O)Cc1c2ccccc2ccc1
• 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: 8.927 ± 0.002 Å
• b: 11.413 ± 0.002 Å
• c: 17.875 ± 0.004 Å
• α: 90°
• β: 102.5 ± 0.03°
• γ: 90°
• Cell volume: 1778 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes