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Information card for entry 2237979
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| Coordinates | 2237979.cif |
|---|---|
| Structure factors | 2237979.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-<i>N</i>-<i>tert</i>-Butyl-2-(4-methoxyanilino)-<i>N</i>'-(4-methoxyphenyl)-2-phenylacetimidamide |
|---|---|
| Formula | C26 H31 N3 O2 |
| Calculated formula | C26 H31 N3 O2 |
| SMILES | c1(ccc(cc1)OC)NC(C(=N\c1ccc(cc1)OC)/NC(C)(C)C)c1ccccc1 |
| Title of publication | (<i>Z</i>)-<i>N</i>-<i>tert</i>-Butyl-2-(4-methoxyanilino)-<i>N</i>'-(4-methoxyphenyl)-2-phenylacetimidamide |
| Authors of publication | Roberts, Sue A.; Saha, Biswajit; Frett, Brendan; Li, Hong-Yu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | o902 |
| a | 10.0804 ± 0.0017 Å |
| b | 10.5784 ± 0.0017 Å |
| c | 11.1573 ± 0.0018 Å |
| α | 80.982 ± 0.004° |
| β | 85.152 ± 0.004° |
| γ | 80.27 ± 0.004° |
| Cell volume | 1156.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0539 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.0989 |
| Weighted residual factors for all reflections included in the refinement | 0.1055 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.944 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181301 (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 2/23/79. |
2237979.cif 2237979.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. |
2237979.cif 2237979.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237979.cif 2237979.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237979.cif 2237979.hkl |
| 86676 | 2013-07-11 | cif/ Adding structures of 2237979 via cif-deposit CGI script. |
2237979.cif |
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Users of the data should acknowledge the original authors of the
structural data.