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Information card for entry 2022284
Preview
| Coordinates | 2022284.cif |
|---|---|
| Structure factors | 2022284.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1<i>S</i>,4<i>R</i>,8a<i>R</i>)-13-Amino-11-chloro-1,15,16-trihydroxy-4-methoxy-12-methyl-3,4,8a,13-tetrahydro-1<i>H</i>-xantheno[4',3',2':4,5][1,3]benzodioxino[7,6-<i>g</i>]isoquinoline-14,17(2<i>H</i>,9<i>H</i>)-dione |
|---|---|
| Formula | C27 H23 Cl N2 O9 |
| Calculated formula | C27 H23 Cl N2 O9 |
| Title of publication | Albofungin and chloroalbofungin: antibiotic crystals with 2D but not 3D isostructurality |
| Authors of publication | Ye, Wenkang; She, Weiyi; Sung, Herman H.-Y.; Qian, Peiyuan; Williams, Ian D. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 12 |
| Pages of publication | 1100 - 1107 |
| a | 40.6637 ± 0.0009 Å |
| b | 4.52749 ± 0.00012 Å |
| c | 12.7049 ± 0.0003 Å |
| α | 90° |
| β | 98.027 ± 0.002° |
| γ | 90° |
| Cell volume | 2316.11 ± 0.1 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.039 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0798 |
| Weighted residual factors for all reflections included in the refinement | 0.0823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259255 (current) | 2020-11-26 | cif/ hkl/ Adding structures of 2022283, 2022284 via cif-deposit CGI script. |
2022284.cif 2022284.hkl |
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public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.