Information card for entry 2007572

Structure parameters

• Common name: pptphe
• Chemical name: N-tert-butyloxycarbonyl-N-benzylglycine
• Formula: C14 H19 N O4
• Calculated formula: C14 H19 N O4
• SMILES: C(C)(C)(C)OC(=O)N(Cc1ccccc1)CC(=O)O
• Title of publication: <i>N</i>-Benzyl-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)glycine, an <i>N</i>-Substituted Glycine (Peptoid) Monomer
• Authors of publication: Doi, Mitsunobu; Kinoshita, Kazue; Asano, Akiko; Yoneda, Ryuji; Kurihara, Takushi; Ishida, Toshimasa
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1164 - 1165
• a: 13.323 ± 0.002 Å
• b: 7.8005 ± 0.0009 Å
• c: 15.324 ± 0.002 Å
• α: 90°
• β: 110.499 ± 0.008°
• γ: 90°
• Cell volume: 1491.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections: 0.288
• Weighted residual factors for significantly intense reflections: 0.183
• Goodness-of-fit parameter for all reflections: 1.167
• Goodness-of-fit parameter for significantly intense reflections: 1.176
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No