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Information card for entry 2312021
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| Coordinates | 2312021.cif |
|---|---|
| Structure factors | 2312021.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,2'-Bipyrrole |
|---|---|
| Formula | C8 H8 N2 |
| Calculated formula | C8 H8 N2 |
| SMILES | c1[nH]c(c2[nH]ccc2)cc1 |
| Title of publication | Crystal structure of 2,2'-bi-pyrrole. |
| Authors of publication | Michaels, Christopher A.; Zakharov, Lev N.; Lamm, Ashley N. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | Pt 10 |
| Pages of publication | 1517 - 1519 |
| a | 5.95 ± 0.0002 Å |
| b | 6.765 ± 0.0002 Å |
| c | 8.4363 ± 0.0003 Å |
| α | 90° |
| β | 96.746 ± 0.002° |
| γ | 90° |
| Cell volume | 337.225 ± 0.019 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0367 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0947 |
| Weighted residual factors for all reflections included in the refinement | 0.0981 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246250 (current) | 2019-12-27 | cif/ hkl/ Adding structures of 2312021 via cif-deposit CGI script. |
2312021.cif 2312021.hkl |
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Users of the data should acknowledge the original authors of the
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