Information card for entry 4022009

Structure parameters

• Formula: C18 H23 N O5
• Calculated formula: C18 H23 N O5
• SMILES: O[C@]1(O[C@@H]([C@H](C1)C(=O)N1CCC[C@H]1C(=O)OC)c1ccccc1)C
• Title of publication: Stereocontrolled Formation of Ketomethylene Isosteres through Tandem Chain Extension Reactions
• Authors of publication: Weimin Lin; Nancy Tryder; Fan Su; Charles K. Zercher; Jerry P. Jasinski; Ray J. Butcher
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 8140 - 8145
• a: 10.849 ± 0.005 Å
• b: 16.398 ± 0.003 Å
• c: 9.71 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1727.5 ± 1.3 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No