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Information card for entry 7064322
Preview
| Coordinates | 7064322.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N-(9-iodo-4,4,8-trimethyltricyclo[6.3.1.0^2,5]dodecan-1-yl)-N'- (methylsulfonyl)acetimidamide |
|---|---|
| Formula | C18 H31 I N2 O2 S |
| Calculated formula | C18 H31 I N2 O2 S |
| Title of publication | Skeletal rearrangements and structures of halosulfonamidation products of caryophyllene |
| Authors of publication | Moskalik, Mikhail Yu.; Garagan, Ivan A.; Myasnikova, Valentina S.; Borodina, Tatyana N.; Shainyan, Bagrat A. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2026 |
| Journal volume | 50 |
| Journal issue | 4 |
| Pages of publication | 1935 - 1942 |
| a | 7.2188 ± 0.001 Å |
| b | 15.8711 ± 0.0018 Å |
| c | 18.129 ± 0.003 Å |
| α | 90° |
| β | 98.025 ± 0.005° |
| γ | 90° |
| Cell volume | 2056.7 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1359 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.0894 |
| Weighted residual factors for all reflections included in the refinement | 0.1004 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.