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Information card for entry 1545380
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| Coordinates | 1545380.cif |
|---|---|
| Structure factors | 1545380.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-[5-(Diphenylamino)penta-2,4-diyn-1-yl]benzamide |
|---|---|
| Formula | C24 H18 N2 O |
| Calculated formula | C24 H18 N2 O |
| SMILES | O=C(NCC#CC#CN(c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | <i>N</i>-[5-(Diphenylamino)penta-2,4-diyn-1-yl]benzamide |
| Authors of publication | Kawashima, Takuya; Okuno, Tsunehisa |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 2 |
| Pages of publication | x170277 |
| a | 12.486 ± 0.007 Å |
| b | 9.738 ± 0.005 Å |
| c | 16.089 ± 0.009 Å |
| α | 90° |
| β | 109.518 ± 0.006° |
| γ | 90° |
| Cell volume | 1843.8 ± 1.7 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0892 |
| Residual factor for significantly intense reflections | 0.0602 |
| Weighted residual factors for significantly intense reflections | 0.141 |
| Weighted residual factors for all reflections included in the refinement | 0.1619 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192765 (current) | 2017-03-02 | cif/ hkl/ Adding structures of 1545380 via cif-deposit CGI script. |
1545380.cif 1545380.hkl |
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Users of the data should acknowledge the original authors of the
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