Information card for entry 2104631

Structure parameters

• Chemical name: (S)-4-dodecyloxycarbonyl-2-azetidinone
• Formula: C16 H29 N O3
• Calculated formula: C16 H29 N O3
• SMILES: CCCCCCCCCCCCOC(=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: 31.08412 ± 0.00033 Å
• b: 5.35782 ± 0.00004 Å
• c: 5.21197 ± 0.00005 Å
• α: 90°
• β: 94.1094 ± 0.0007°
• γ: 90°
• Cell volume: 865.786 ± 0.014 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: 0.06302
• Goodness-of-fit parameter for all reflections: 1.87
• 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