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Information card for entry 2232422
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| Coordinates | 2232422.cif |
|---|---|
| Structure factors | 2232422.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6,6'-(Pyridine-2,6-diyl)bis(pyrrolo[3,4-<i>b</i>]pyridine-5,7-dione) |
|---|---|
| Formula | C19 H9 N5 O4 |
| Calculated formula | C19 H9 N5 O4 |
| SMILES | O=C1c2ncccc2C(=O)N1c1cccc(n1)N1C(=O)c2c(C1=O)nccc2 |
| Title of publication | 6,6'-(Pyridine-2,6-diyl)bis(pyrrolo[3,4-<i>b</i>]pyridine-5,7-dione) |
| Authors of publication | Van der Berg, P. C. W.; Visser, Hendrik G.; Roodt, Andreas |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | o3130 |
| a | 14.539 ± 0.001 Å |
| b | 7.391 ± 0.001 Å |
| c | 15.686 ± 0.001 Å |
| α | 90° |
| β | 108.752 ± 0.002° |
| γ | 90° |
| Cell volume | 1596.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.038 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for all reflections included in the refinement | 0.0907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181246 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/24. |
2232422.cif 2232422.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232422.cif 2232422.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232422.cif 2232422.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232422.cif 2232422.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232422.cif 2232422.hkl |
| 31080 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232422 via cif-deposit CGI script. |
2232422.cif |
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Users of the data should acknowledge the original authors of the
structural data.