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Information card for entry 1548496
Preview
| Coordinates | 1548496.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H24 N2 O5 S |
|---|---|
| Calculated formula | C25 H24 N2 O5 S |
| SMILES | S(=O)(=O)(N/N=C/1c2c(OC)cc(cc2C(=O)c2c1c(OC)cc(c2)C)C)c1ccc(cc1)C |
| Title of publication | Total synthesis of clostrubin |
| Authors of publication | Ming Yang; Jian Li; Ang Li |
| Journal of publication | Nature Communications |
| Year of publication | 2015 |
| Journal volume | 6 |
| Pages of publication | 6445 |
| a | 8.4096 ± 0.0006 Å |
| b | 15.0102 ± 0.0012 Å |
| c | 18.0794 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2282.2 ± 0.3 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204396 (current) | 2017-12-20 | cif/ Adding structures of 1548496 via cif-deposit CGI script. |
1548496.cif |
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Users of the data should acknowledge the original authors of the
structural data.