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Information card for entry 1503777
Preview
Coordinates | 1503777.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H15 F3 N2 O4 S |
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Calculated formula | C14 H15 F3 N2 O4 S |
SMILES | [n+]12CCCNc1ccc1ccc(cc21)OC.C(F)(F)(F)S(=O)(=O)[O-] |
Title of publication | Synthesis of the pyoverdin chromophore by a biomimetic oxidative cyclization. |
Authors of publication | Jones, Raymond C. F.; Yau, Sze Chak; Iley, James N.; Smith, Janet E.; Dickson, James; Elsegood, Mark R. J.; McKee, Vickie; Coles, Simon J. |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 7 |
Pages of publication | 1519 - 1522 |
a | 6.6746 ± 0.0012 Å |
b | 22.837 ± 0.004 Å |
c | 10.1575 ± 0.0018 Å |
α | 90° |
β | 94.556 ± 0.003° |
γ | 90° |
Cell volume | 1543.4 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1185 |
Residual factor for significantly intense reflections | 0.097 |
Weighted residual factors for significantly intense reflections | 0.2538 |
Weighted residual factors for all reflections included in the refinement | 0.2635 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.187 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1503777.html
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