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Information card for entry 7225832
Preview
| Coordinates | 7225832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | SAN-15 |
|---|---|
| Formula | C32 H34 N2 O9 S |
| Calculated formula | C32 H34 N2 O9 S |
| SMILES | S(=O)(=O)(N1c2c(OC)c3c(c(OC)c2)c(c(OC)c(c3)C)C(=O)C(=CCCCC=C(C1)C)C)c1ccc(N(=O)=O)cc1.OC |
| Title of publication | A Practical and Efficient Route to Heteraphanes: Synthesis of Structurally Simplified Analogues of Ansamycins |
| Authors of publication | Reddy, R. Santhosh; Zheng, Shaojun; lagishetti, chandraiah; You, Hengyao; He, Yun |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 8.3398 ± 0.0004 Å |
| b | 11.7932 ± 0.0007 Å |
| c | 16.6442 ± 0.0009 Å |
| α | 101.577 ± 0.005° |
| β | 96.639 ± 0.004° |
| γ | 104.437 ± 0.005° |
| Cell volume | 1529.21 ± 0.15 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0957 |
| Residual factor for significantly intense reflections | 0.0625 |
| Weighted residual factors for significantly intense reflections | 0.1645 |
| Weighted residual factors for all reflections included in the refinement | 0.1876 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184260 (current) | 2016-07-06 | cif/ Adding structures of 7225832 via cif-deposit CGI script. |
7225832.cif |
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Users of the data should acknowledge the original authors of the
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