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Information card for entry 1575468
Preview
| Coordinates | 1575468.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H18 I N O3 |
|---|---|
| Calculated formula | C12 H18 I N O3 |
| a | 9.8944 ± 0.0004 Å |
| b | 10.078 ± 0.0004 Å |
| c | 27.6271 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2754.86 ± 0.19 Å3 |
| Cell temperature | 120.01 ± 0.1 K |
| Ambient diffraction temperature | 120.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0347 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.0631 |
| Weighted residual factors for all reflections included in the refinement | 0.0671 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| 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 |
|---|---|---|---|
| 301757 (current) | 2025-08-16 | cif/ Adding structures of 1575468, 1575469, 1575470, 1575471, 1575472, 1575473, 1575474, 1575475, 1575476 via cif-deposit CGI script. |
1575468.cif |
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Users of the data should acknowledge the original authors of the
structural data.