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Information card for entry 4129083
Preview
Coordinates | 4129083.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H14 O5 |
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Calculated formula | C17 H14 O5 |
SMILES | C1(=O)C=C2C=C(OC=C2C2=C(C(=O)C)C(=O)O[C@]12C)/C=C/C |
Title of publication | Stereodivergent, Chemoenzymatic Synthesis of Azaphilone Natural Products. |
Authors of publication | Pyser, Joshua B.; Baker Dockrey, Summer A.; Benítez, Attabey Rodríguez; Joyce, Leo A.; Wiscons, Ren A.; Smith, Janet L.; Narayan, Alison R. H. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 46 |
Pages of publication | 18551 - 18559 |
a | 5.3944 ± 0.00006 Å |
b | 18.0328 ± 0.0002 Å |
c | 29.9372 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2912.18 ± 0.06 Å3 |
Cell temperature | 298.43 ± 0.11 K |
Ambient diffraction temperature | 298.43 ± 0.11 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 | 0.0332 |
Residual factor for significantly intense reflections | 0.03 |
Weighted residual factors for significantly intense reflections | 0.0784 |
Weighted residual factors for all reflections included in the refinement | 0.0846 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4129083.html
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Users of the data should acknowledge the original authors of the
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