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Information card for entry 1549177
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| Coordinates | 1549177.cif |
|---|---|
| Structure factors | 1549177.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(1<i>H</i>-Indol-3-yl)-2,6-bis(pyrazin-2-yl)pyridine |
|---|---|
| Formula | C21 H14 N6 |
| Calculated formula | C21 H14 N6 |
| SMILES | c1(cnccn1)c1cc(cc(c2cnccn2)n1)c1c[nH]c2c1cccc2 |
| Title of publication | 4-(1<i>H</i>-Indol-3-yl)-2,6-bis(pyrazin-2-yl)pyridine |
| Authors of publication | Wang, Jianwei; Yuan, Caixia |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 3 |
| Pages of publication | x180492 |
| a | 8.556 ± 0.0017 Å |
| b | 8.982 ± 0.0018 Å |
| c | 22.13 ± 0.004 Å |
| α | 90° |
| β | 98.28 ± 0.03° |
| γ | 90° |
| Cell volume | 1683 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.057 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1575 |
| Weighted residual factors for all reflections included in the refinement | 0.1614 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207194 (current) | 2018-03-30 | cif/ hkl/ Adding structures of 1549177 via cif-deposit CGI script. |
1549177.cif 1549177.hkl |
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