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Information card for entry 2242381
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| Coordinates | 2242381.cif |
|---|---|
| Structure factors | 2242381.hkl |
| Original IUCr paper | HTML |
| Common name | <i>E</i>-phenanthrene-9-carbaldehyde oxime |
|---|---|
| Chemical name | (<i>E</i>)-Phenanthrene-9-carbaldehyde oxime |
| Formula | C15 H11 N O |
| Calculated formula | C15 H11 N O |
| SMILES | O/N=C/c1cc2ccccc2c2ccccc12 |
| Title of publication | Crystal structures of (<i>E</i>)-1-naphthaldehyde oxime and (<i>E</i>)-phenanthrene-9-carbaldehyde oxime |
| Authors of publication | Lasri, Jamal; Chulvi, Katherine; Eltayeb, Naser Eltaher |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 3 |
| Pages of publication | 332 - 336 |
| a | 8.2397 ± 0.0008 Å |
| b | 4.9728 ± 0.0005 Å |
| c | 13.9332 ± 0.0014 Å |
| α | 90° |
| β | 106.68 ± 0.007° |
| γ | 90° |
| Cell volume | 546.88 ± 0.1 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0634 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0833 |
| Weighted residual factors for all reflections included in the refinement | 0.0933 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206431 (current) | 2018-02-14 | cif/ hkl/ Adding structures of 2242380, 2242381 via cif-deposit CGI script. |
2242381.cif 2242381.hkl |
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Users of the data should acknowledge the original authors of the
structural data.