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Information card for entry 1557054
Preview
| Coordinates | 1557054.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H14 I N |
|---|---|
| Calculated formula | C20 H14 I N |
| SMILES | c1(c(n2ccccc2c1c1ccccc1)c1ccccc1)I |
| Title of publication | Straightforward Access to 2-Iodoindolizines via Iodine-Mediated Cyclization of 2-Pyridylallenes |
| Authors of publication | Martinez, Thibaut; Alahyen, Ismail; Lemière, Gilles; Mouriès-Mansuy, Virginie; Fensterbank, Louis |
| Journal of publication | Organic Process Research & Development |
| Year of publication | 2020 |
| a | 16.5305 ± 0.0008 Å |
| b | 18.7386 ± 0.001 Å |
| c | 10.5281 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3261.2 ± 0.3 Å3 |
| Cell temperature | 200 ± 1 K |
| Ambient diffraction temperature | 200 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0273 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.0702 |
| Weighted residual factors for all reflections included in the refinement | 0.0715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246926 (current) | 2020-01-17 | cif/ Adding structures of 1557054 via cif-deposit CGI script. |
1557054.cif |
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Users of the data should acknowledge the original authors of the
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