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Information card for entry 1548676
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| Coordinates | 1548676.cif |
|---|---|
| Structure factors | 1548676.hkl |
| Original IUCr paper | HTML |
| Common name | RNC |
|---|---|
| Chemical name | 2,6-Dibromo-4-chlorophenyl isocyanide |
| Formula | C7 H2 Br2 Cl N |
| Calculated formula | C7 H2 Br2 Cl N |
| SMILES | Brc1c([N]#C)c(Br)cc(Cl)c1 |
| Title of publication | 2,6-Dibromo-4-chlorophenyl isocyanide |
| Authors of publication | Noland, Wayland E.; Tritch, Kenneth J. |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 1 |
| Pages of publication | x171819 |
| a | 4.7215 ± 0.0004 Å |
| b | 10.0181 ± 0.0009 Å |
| c | 8.7689 ± 0.0008 Å |
| α | 90° |
| β | 93.023 ± 0.004° |
| γ | 90° |
| Cell volume | 414.2 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0233 |
| Residual factor for significantly intense reflections | 0.0206 |
| Weighted residual factors for significantly intense reflections | 0.0484 |
| Weighted residual factors for all reflections included in the refinement | 0.05 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205184 (current) | 2018-01-13 | cif/ hkl/ Adding structures of 1548676 via cif-deposit CGI script. |
1548676.cif 1548676.hkl |
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Users of the data should acknowledge the original authors of the
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