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Information card for entry 1543360
Preview
Coordinates | 1543360.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H24 O4 |
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Calculated formula | C21 H24 O4 |
SMILES | O=C1O[C@@H]([C@H](OCc2ccc(OC)cc2)C1(C)C)Cc1ccccc1 |
Title of publication | Total Synthesis of the GRP78-Downregulatory Macrolide (+)-Prunustatin A, the Immunosuppressant (+)-SW-163A, and a JBIR-04 Diastereoisomer That Confirms JBIR-04 Has Nonidentical Stereochemistry to (+)-Prunustatin A. |
Authors of publication | Manaviazar, Soraya; Nockemann, Peter; Hale, Karl J. |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 12 |
Pages of publication | 2902 - 2905 |
a | 5.87215 ± 0.00015 Å |
b | 17.2976 ± 0.0004 Å |
c | 17.9057 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1818.76 ± 0.08 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
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 | 0.039 |
Residual factor for significantly intense reflections | 0.0376 |
Weighted residual factors for significantly intense reflections | 0.0946 |
Weighted residual factors for all reflections included in the refinement | 0.0961 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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