Information card for entry 4024257

Structure parameters

• Formula: C23 H23 N O5
• Calculated formula: C23 H23 N O5
• SMILES: O[C@]12N(C(=O)c3c1cccc3)[C@@H](C(C)C)C(=O)C[C@H]2C(=O)OCc1ccccc1.O[C@@]12N(C(=O)c3c1cccc3)[C@H](C(C)C)C(=O)C[C@@H]2C(=O)OCc1ccccc1
• Title of publication: Stereoselective Formation of a Functionalized Dipeptide Isostere by Zinc Carbenoid-Mediated Chain Extension
• Authors of publication: Weimin Lin; Cory R. Theberge; Timothy J. Henderson; Charles K. Zercher; Jerry Jasinski; Ray. J. Butcher
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 645 - 651
• a: 9.4862 ± 0.0016 Å
• b: 8.3879 ± 0.0014 Å
• c: 24.325 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1935.6 ± 0.6 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No