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Information card for entry 4123862
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Coordinates | 4123862.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (4aS*,7R*,8aS*)-ethyl 4a-hydroxy-7-methoxycarboxy-4a,7,8,8a-tetrahydro- 4H-benzo[e][1,2]oxazine-3-carboxylate |
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Formula | C13 H17 N O7 |
Calculated formula | C13 H17 N O7 |
SMILES | O([C@@H]1C[C@@H]2ON=C(C[C@]2(O)C=C1)C(=O)OCC)C(=O)OC |
Title of publication | Concise Total Synthesis of Trichodermamides A, B, and C Enabled by an Efficient Construction of the 1,2-Oxazadecaline Core. |
Authors of publication | Mfuh, Adelphe M.; Zhang, Yu; Stephens, David E.; Vo, Anh X. T.; Arman, Hadi D.; Larionov, Oleg V. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 25 |
Pages of publication | 8050 - 8053 |
a | 8.837 ± 0.003 Å |
b | 9.595 ± 0.003 Å |
c | 16.405 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1391 ± 0.8 Å3 |
Cell temperature | 98 ± 2 K |
Ambient diffraction temperature | 98 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0704 |
Residual factor for significantly intense reflections | 0.0671 |
Weighted residual factors for significantly intense reflections | 0.1287 |
Weighted residual factors for all reflections included in the refinement | 0.1314 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
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/4123862.html
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