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Information card for entry 7224059
Preview
| Coordinates | 7224059.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Nigerloxin dioxane water solvate |
|---|---|
| Chemical name | Nigerloxin dioxane water solvate |
| Formula | C12 H13 N O7 |
| Calculated formula | C12 H13 N O7 |
| Title of publication | Experimental and computational crystal structure landscape study of nigerloxin: a fungal metabolite from Aspergillus niger |
| Authors of publication | Singh, Shiv Shankar; Vasantha, K. Y.; Sattur, A. P.; Thakur, Tejender S. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 10 |
| Pages of publication | 1740 |
| a | 28.77 ± 0.03 Å |
| b | 8.771 ± 0.008 Å |
| c | 10.211 ± 0.001 Å |
| α | 90° |
| β | 108.17 ± 0.03° |
| γ | 90° |
| Cell volume | 2448 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.087 |
| Residual factor for significantly intense reflections | 0.0636 |
| Weighted residual factors for significantly intense reflections | 0.1703 |
| Weighted residual factors for all reflections included in the refinement | 0.205 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177746 (current) | 2016-03-05 | cif/ Updating files of 7224059, 7224060 Original log message: Adding full bibliography for 7224059--7224060.cif. |
7224059.cif |
| 175305 | 2016-01-30 | cif/ Adding structures of 7224059, 7224060 via cif-deposit CGI script. |
7224059.cif |
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Users of the data should acknowledge the original authors of the
structural data.