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Information card for entry 1506138
Preview
Coordinates | 1506138.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H33 N3 O4 |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/1506138.html
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Users of the data should acknowledge the original authors of the
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