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Information card for entry 7230177
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| Coordinates | 7230177.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Aculeatine A |
|---|---|
| Formula | C22 H26 N2 O5 |
| Calculated formula | C22 H26 N2 O5 |
| Title of publication | Substituted l-tryptophan-l-phenyllactic acid conjugates produced by an endophytic fungus Aspergillus aculeatus using an OSMAC approach |
| Authors of publication | Wang, Hao; Eze, Peter M.; Höfert, Simon-Patrick; Janiak, Christoph; Hartmann, Rudolf; Okoye, Festus B. C.; Esimone, Charles O.; Orfali, Raha S.; Dai, Haofu; Liu, Zhen; Proksch, Peter |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 14 |
| Pages of publication | 7863 |
| a | 23.52 ± 0.02 Å |
| b | 5.994 ± 0.005 Å |
| c | 15.843 ± 0.013 Å |
| α | 90° |
| β | 112.574 ± 0.017° |
| γ | 90° |
| Cell volume | 2062 ± 3 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0408 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.0658 |
| Weighted residual factors for all reflections included in the refinement | 0.0667 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206518 (current) | 2018-02-20 | cif/ Adding structures of 7230177 via cif-deposit CGI script. |
7230177.cif |
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Users of the data should acknowledge the original authors of the
structural data.