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Information card for entry 1508719
Preview
Coordinates | 1508719.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (2S,3S,4S)-tert-butyl 3-allyl-2-(((tert-butyldiphenylsilyl)oxy)methyl)-3-hydroxy-2-((methoxymethoxy)methyl)-4-methylpyrrolidine-1-carboxylate |
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Formula | C33 H49 N O6 Si |
Calculated formula | C33 H49 N O6 Si |
SMILES | [Si](OC[C@]1(N(C[C@H]([C@]1(O)CC=C)C)C(=O)OC(C)(C)C)COCOC)(c1ccccc1)(C(C)(C)C)c1ccccc1.[Si](OC[C@@]1(N(C[C@@H]([C@@]1(O)CC=C)C)C(=O)OC(C)(C)C)COCOC)(c1ccccc1)(C(C)(C)C)c1ccccc1 |
Title of publication | Asymmetric synthesis of the fully elaborated pyrrolidinone core of oxazolomycin A. |
Authors of publication | Donohoe, Timothy J.; O'Riordan, Timothy J C; Peifer, Manuel; Jones, Christopher R.; Miles, Timothy J. |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 21 |
Pages of publication | 5460 - 5463 |
a | 10.3589 ± 0.0002 Å |
b | 30.3196 ± 0.0005 Å |
c | 11.4539 ± 0.0002 Å |
α | 90° |
β | 115.063 ± 0.0007° |
γ | 90° |
Cell volume | 3258.69 ± 0.1 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0983 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for all reflections | 0.1214 |
Weighted residual factors for significantly intense reflections | 0.1035 |
Weighted residual factors for all reflections included in the refinement | 0.1214 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.911 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1508719.html
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Users of the data should acknowledge the original authors of the
structural data.