Information card for entry 2104632

Structure parameters

• Chemical name: (S)-4-hexadecyloxycarbonyl-2-azetidinone
• Formula: C20 H37 N O3
• Calculated formula: C20 H37 N O3
• SMILES: CCCCCCCCCCCCCCCCOC(=O)[C@@H]1CC(=O)N1
• Title of publication: Molecular and crystalline structures of three (<i>S</i>)-4-alkoxycarbonyl-2-azetidinones containing long alkyl side chains from synchrotron X-ray powder diffraction data
• Authors of publication: Seijas, Luis E.; Mora, Asiloé J.; Delgado, Gerzon E.; López-Carrasquero, Francisco; Báez, María E.; Brunelli, Michela; Fitch, Andrew N.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: 724 - 730
• a: 37.15863 ± 0.00033 Å
• b: 5.35911 ± 0.00005 Å
• c: 5.30974 ± 0.00005 Å
• α: 90°
• β: 92.1693 ± 0.0006°
• γ: 90°
• Cell volume: 1056.61 ± 0.017 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• RFsqd: 0.06998
• Goodness-of-fit parameter for all reflections: 2.22
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.850227 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No