Information card for entry 1506138

Structure parameters

• Formula: C36 H33 N3 O4
• Calculated formula: C36 H33 N3 O4
• SMILES: O=C1N(C(=O)c2c1cccc2)[C@@H](C(=O)Nc1cccc2cccnc12)[C@@H](C(C)C)c1ccc(OC)cc1.c1ccccc1.O=C1N(C(=O)c2c1cccc2)[C@H](C(=O)Nc1cccc2cccnc12)[C@H](C(C)C)c1ccc(OC)cc1.c1ccccc1
• 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: 11.1824 ± 0.0018 Å
• b: 11.3032 ± 0.0018 Å
• c: 12.902 ± 0.002 Å
• α: 105.247 ± 0.004°
• β: 107.724 ± 0.004°
• γ: 93.027 ± 0.004°
• Cell volume: 1482.9 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1157
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No