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Information card for entry 2240356
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| Coordinates | 2240356.cif |
|---|---|
| Structure factors | 2240356.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-[(8<i>E</i>)-12-Methyl-14-phenyl-10,13,14,16-tetraazatetracyclo[7.7.0.0^2,7^.0^11,15^]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene]hydroxylamine 1,4-dioxane hemisolvate |
|---|---|
| Formula | C21 H17 N5 O2 |
| Calculated formula | C21 H17 N5 O2 |
| Title of publication | Crystal structure of <i>N</i>-[(8<i>E</i>)-12-methyl-14-phenyl-10,13,14,16-tetraazatetracyclo[7.7.0.0^2,7^.0^11,15^]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene]hydroxylamine 1,4-dioxane hemisolvate |
| Authors of publication | Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; El-Emary, Talaat I.; Albayati, Mustafa R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | o75 - o76 |
| a | 15.8019 ± 0.0004 Å |
| b | 5.5675 ± 0.0001 Å |
| c | 20.4756 ± 0.0005 Å |
| α | 90° |
| β | 102.093 ± 0.002° |
| γ | 90° |
| Cell volume | 1761.41 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1067 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1422 |
| Weighted residual factors for all reflections included in the refinement | 0.1658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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 |
2240356.cif 2240356.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. |
2240356.cif 2240356.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. |
2240356.cif 2240356.hkl |
| 129348 | 2015-01-04 | cif/ hkl/ Adding structures of 2240356 via cif-deposit CGI script. |
2240356.cif 2240356.hkl |
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Users of the data should acknowledge the original authors of the
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