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Information card for entry 1559278
Preview
Coordinates | 1559278.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Paecilosetin C |
---|---|
Chemical name | Compound 5 |
Formula | C22 H29 N O3 |
Calculated formula | C22 H29 N O3 |
SMILES | OC1=C(C(=O)[C@]2([C@@H]3CC[C@H](C[C@H]3C=C[C@H]2/C=C/C)C)C)C(=O)NC\1=C/C |
Title of publication | Paecilosetin Derivatives as Potent Antimicrobial Agents from <i>Isaria farinosa</i>. |
Authors of publication | Brel, Orianne; Touré, Seindé; Levasseur, Marceau; Lechat, Christian; Pellissier, Léonie; Wolfender, Jean-Luc; Van-Elslande, Elsa; Litaudon, Marc; Dusfour, Isabelle; Stien, Didier; Eparvier, Véronique |
Journal of publication | Journal of natural products |
Year of publication | 2020 |
Journal volume | 83 |
Journal issue | 10 |
Pages of publication | 2915 - 2922 |
a | 13.583 ± 0.0005 Å |
b | 15.4136 ± 0.0005 Å |
c | 19.6284 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4109.5 ± 0.4 Å3 |
Cell temperature | 235 K |
Ambient diffraction temperature | 235.15 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 | 0.1401 |
Residual factor for significantly intense reflections | 0.048 |
Weighted residual factors for significantly intense reflections | 0.076 |
Weighted residual factors for all reflections included in the refinement | 0.1131 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54187 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/1559278.html
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