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Information card for entry 7250213
Preview
| Coordinates | 7250213.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H11 N3 O2 |
|---|---|
| Calculated formula | C10 H11 N3 O2 |
| Title of publication | Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of molecular arrangement for functionalized crystals |
| Authors of publication | Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 9.02963 ± 0.00016 Å |
| b | 5.82382 ± 0.0001 Å |
| c | 9.7226 ± 0.00017 Å |
| α | 90° |
| β | 112.326 ± 0.002° |
| γ | 90° |
| Cell volume | 472.955 ± 0.016 Å3 |
| Cell temperature | 223 K |
| Ambient diffraction temperature | 223 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0726 |
| Residual factor for significantly intense reflections | 0.0717 |
| Weighted residual factors for significantly intense reflections | 0.1823 |
| Weighted residual factors for all reflections included in the refinement | 0.1837 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298695 (current) | 2025-04-03 | cif/ Adding structures of 7250211, 7250212, 7250213, 7250214 via cif-deposit CGI script. |
7250213.cif |
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Users of the data should acknowledge the original authors of the
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