Information card for entry 1506137

Structure parameters

• Formula: C25 H23 N3 O5
• Calculated formula: C25 H23 N3 O5
• SMILES: O=C(Nc1cccc2c1nccc2)[C@@H](N1C(=O)c2ccccc2C1=O)[C@@H](OC(=O)C)C(C)C
• Title of publication: Novel acetoxylation and C-C coupling reactions at unactivated positions in alpha-amino acid derivatives.
• Authors of publication: Reddy, B. V. Subba; Reddy, Leleti Rajender; Corey, E. J.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 15
• Pages of publication: 3391 - 3394
• a: 30.159 ± 0.005 Å
• b: 8.8874 ± 0.0014 Å
• c: 20.568 ± 0.003 Å
• α: 90°
• β: 124.276 ± 0.003°
• γ: 90°
• Cell volume: 4555.5 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 0.824
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No