Information card for entry 7150659

Structure parameters

• Chemical name: (R)-ethyl 3-((S)-4-benzyl-2-oxooxazolidine-3-carbonyl)hex-5-enoate
• Formula: C19 H23 N O5
• Calculated formula: C19 H23 N O5
• SMILES: O1C(=O)N([C@H](C1)Cc1ccccc1)C(=O)[C@H](CC=C)CC(=O)OCC
• Title of publication: New asymmetric synthesis of protein farnesyltransferase inhibitors via palladium-catalyzed cross-coupling reactions of 2-iodo-imidazoles
• Authors of publication: Kerhervé, Jennifer; Botuha, Candice; Dubois, Joëlle
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 2214 - 2222
• a: 7.361 ± 0.003 Å
• b: 10.817 ± 0.004 Å
• c: 12.31 ± 0.004 Å
• α: 90°
• β: 106.652 ± 0.008°
• γ: 90°
• Cell volume: 939.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No