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Information card for entry 1503774
Preview
Coordinates | 1503774.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H19 F3 N2 O5 S |
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Calculated formula | C14 H19 F3 N2 O5 S |
SMILES | C(F)(F)(F)S(=O)(=O)[O-].C1(=O)C=C[C@@]2([C@H](C1)N1C(CC2)=[NH+]CCC1)OC.C(F)(F)(F)S(=O)(=O)[O-].C1(=O)C=C[C@]2([C@@H](C1)N1C(CC2)=[NH+]CCC1)OC |
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 | 7.2689 ± 0.0015 Å |
b | 7.8204 ± 0.0016 Å |
c | 15.025 ± 0.003 Å |
α | 103.85 ± 0.03° |
β | 99.4 ± 0.03° |
γ | 92.57 ± 0.03° |
Cell volume | 815 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1347 |
Residual factor for significantly intense reflections | 0.0613 |
Weighted residual factors for significantly intense reflections | 0.1305 |
Weighted residual factors for all reflections included in the refinement | 0.1594 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
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/1503774.html
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Users of the data should acknowledge the original authors of the
structural data.