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Information card for entry 2234356
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| Coordinates | 2234356.cif |
|---|---|
| Structure factors | 2234356.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | <i>N</i>,<i>N</i>'-Diethyl-<i>N</i>,<i>N</i>'-diphenylpyridine-2,6-dicarboxamide |
|---|---|
| Formula | C23 H23 N3 O2 |
| Calculated formula | C23 H23 N3 O2 |
| SMILES | c1(cccc(C(=O)N(CC)c2ccccc2)n1)C(=O)N(CC)c1ccccc1 |
| Title of publication | <i>N</i>,<i>N</i>'-Diethyl-<i>N</i>,<i>N</i>'-diphenylpyridine-2,6-dicarboxamide |
| Authors of publication | Klepetářová, Blanka; Makrlík, Emanuel; Babain, Vasily A.; Kašička, Václav |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | o1099 - o1100 |
| a | 12.1879 ± 0.0017 Å |
| b | 12.2371 ± 0.0015 Å |
| c | 13.6798 ± 0.0017 Å |
| α | 83.971 ± 0.01° |
| β | 86.919 ± 0.011° |
| γ | 87.744 ± 0.01° |
| Cell volume | 2024.9 ± 0.5 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1223 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for all reflections | 0.1063 |
| Weighted residual factors for significantly intense reflections | 0.0618 |
| Weighted residual factors for all reflections included in the refinement | 0.0618 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1414 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2234356.cif 2234356.hkl |
| 181265 | 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 2/23/43. |
2234356.cif 2234356.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. |
2234356.cif 2234356.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234356.cif 2234356.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. | 2234356.cif 2234356.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234356.cif 2234356.hkl |
| 55628 | 2012-05-05 | cif/ Adding structures of 2234356 via cif-deposit CGI script. |
2234356.cif |
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Users of the data should acknowledge the original authors of the
structural data.