Information card for entry 2205702

Structure parameters

• Formula: C24 H29 N O5
• Calculated formula: C24 H29 N O5
• SMILES: O=C(CCC(=O)C(NC(=O)OC(C)(C)C)Cc1ccccc1)OCc1ccccc1
• Title of publication: Benzyl-5-[<i>N</i>-(<i>tert</i>-butoxycarbonyl)amino]-4-oxo-6-phenylhexanoate
• Authors of publication: Våbenø, Jon; Ingebrigtsen, Truls; Lejon, Tore; Luthman, Kristina; Hansen, Lars Kr.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1331 - o1332
• a: 9.608 ± 0.0019 Å
• b: 22.856 ± 0.004 Å
• c: 10.2908 ± 0.0017 Å
• α: 90°
• β: 98.353 ± 0.016°
• γ: 90°
• Cell volume: 2235.9 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1193
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes