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Information card for entry 2242826
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| Coordinates | 2242826.cif |
|---|---|
| Structure factors | 2242826.hkl |
| Original IUCr paper | HTML |
| Common name | Benzyl naphthalen-2-yl ether |
|---|---|
| Chemical name | 2-(Benzyloxy)naphthalene |
| Formula | C17 H14 O |
| Calculated formula | C17 H14 O |
| SMILES | O(c1cc2c(cc1)cccc2)Cc1ccccc1 |
| Title of publication | Crystal structure of benzyl 2-naphthyl ether, a sensitiser for thermal paper |
| Authors of publication | Kikuchi, Takuya; Gontani, Saori; Miyanaga, Kyohei; Kurata, Takaaki; Akatani, Yoshiki; Matsumoto, Shinya |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 2 |
| Pages of publication | 242 - 245 |
| a | 6.10537 ± 0.0001 Å |
| b | 7.58687 ± 0.00013 Å |
| c | 26.8196 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1242.3 ± 0.04 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0448 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1041 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213224 (current) | 2019-01-19 | cif/ hkl/ Adding structures of 2242826 via cif-deposit CGI script. |
2242826.cif 2242826.hkl |
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