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Information card for entry 7121262
Preview
| Coordinates | 7121262.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H35 I N2 O5 S2 |
|---|---|
| Calculated formula | C34 H35 I N2 O5 S2 |
| Title of publication | 1,3-Iodo-amination of 2-methyl indoles via C<sub>sp<sup>2</sup></sub>-C<sub>sp<sup>3</sup></sub> dual functionalization with iodine reagent. |
| Authors of publication | Moriyama, Katsuhiko; Hamada, Tsukasa; Ishida, Kazuma; Togo, Hideo |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 34 |
| Pages of publication | 4258 - 4261 |
| a | 12.2348 ± 0.0009 Å |
| b | 13.7713 ± 0.001 Å |
| c | 21.3593 ± 0.0015 Å |
| α | 74.8147 ± 0.0009° |
| β | 78.2115 ± 0.001° |
| γ | 80.192 ± 0.0009° |
| Cell volume | 3373.8 ± 0.4 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0541 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.1113 |
| Weighted residual factors for all reflections included in the refinement | 0.1292 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7121262.cif |
| 228585 | 2019-11-17 | cif/ Updating files of 7121262, 7121263, 7121264 Original log message: Adding full bibliography for 7121262--7121264.cif. |
7121262.cif |
| 206346 | 2018-02-10 | cif/ Adding structures of 7121262, 7121263, 7121264 via cif-deposit CGI script. |
7121262.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.