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Information card for entry 4028053
Preview
Coordinates | 4028053.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H33 N O7 |
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Calculated formula | C23 H33 N O7 |
SMILES | O[C@H](C(=O)OC)[C@H](NC(=O)OC(C)(C)C)[C@@H]1OC(O[C@H]1C/C=C/c1ccccc1)(C)C |
Title of publication | Asymmetric Syntheses of APTO and AETD: the β-Amino Acid Fragments within Microsclerodermins C, D, and E |
Authors of publication | Stephen G. Davies; Ai M. Fletcher; Emma M. Foster; James A. Lee; Paul M. Roberts; James E. Thomson |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 2500 - 2510 |
a | 5.49231 ± 0.00008 Å |
b | 16.4313 ± 0.0003 Å |
c | 25.747 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2323.56 ± 0.07 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.0333 |
Residual factor for significantly intense reflections | 0.0306 |
Weighted residual factors for all reflections | 0.0779 |
Weighted residual factors for significantly intense reflections | 0.0748 |
Weighted residual factors for all reflections included in the refinement | 0.0779 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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