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Information card for entry 7121835
Preview
| Coordinates | 7121835.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C7 H11 N O4 |
|---|---|
| Calculated formula | C7 H11 N O4 |
| Title of publication | Phyllostictine A: total synthesis, structural verification and determination of substructure responsible for plant growth inhibition. |
| Authors of publication | Riemer, Martin; Uzunova, Veselina V.; Riemer, Nastja; Clarkson, Guy J.; Pereira, Nicole; Napier, Richard; Shipman, Michael |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 52 |
| Pages of publication | 7211 - 7214 |
| a | 9.7222 ± 0.0003 Å |
| b | 7.91107 ± 0.00017 Å |
| c | 11.6743 ± 0.0003 Å |
| α | 90° |
| β | 102.086 ± 0.003° |
| γ | 90° |
| Cell volume | 878 ± 0.04 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0402 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.1094 |
| Weighted residual factors for all reflections included in the refinement | 0.1115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121835.cif |
| 228190 | 2019-11-17 | cif/ Updating files of 7121835 Original log message: Adding full bibliography for 7121835.cif. |
7121835.cif |
| 208318 | 2018-06-13 | cif/ Adding structures of 7121835 via cif-deposit CGI script. |
7121835.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.