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Information card for entry 2240367
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| Coordinates | 2240367.cif |
|---|---|
| Structure factors | 2240367.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 6,7-Dichloro-2,3-bis(pyridin-2-yl)quinoxaline |
|---|---|
| Formula | C18 H10 Cl2 N4 |
| Calculated formula | C18 H10 Cl2 N4 |
| SMILES | Clc1c(Cl)cc2nc(c(nc2c1)c1ncccc1)c1ncccc1 |
| Title of publication | 6,7-Dichloro-2,3-bis(pyridin-2-yl)quinoxaline |
| Authors of publication | Crundwell, Guy; Glagovich, Neil M.; King, Melissa E. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | o107 |
| a | 7.1921 ± 0.0005 Å |
| b | 18.072 ± 0.003 Å |
| c | 24.093 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3131.5 ± 0.8 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0608 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0825 |
| Weighted residual factors for all reflections included in the refinement | 0.0858 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.902 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240367.cif 2240367.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240367.cif 2240367.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240367.cif 2240367.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2240367.cif 2240367.hkl |
| 129517 | 2015-01-11 | cif/ hkl/ Adding structures of 2240367 via cif-deposit CGI script. |
2240367.cif 2240367.hkl |
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Users of the data should acknowledge the original authors of the
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