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Information card for entry 7228414
Preview
| Coordinates | 7228414.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H13 F O2 |
|---|---|
| Calculated formula | C17 H13 F O2 |
| SMILES | Fc1ccc(c2c3c(c(O)c(OC)cc3)ccc2)cc1 |
| Title of publication | Metal triflate promoted synthesis of naphthalenes |
| Authors of publication | Chan, Chieh-Kai; Wang, Heui-Sin; Tsai, Yu-Lin; Chang, Meng-Yang |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 47 |
| Pages of publication | 29321 |
| a | 6.7021 ± 0.0011 Å |
| b | 7.9371 ± 0.0012 Å |
| c | 12.17 ± 0.002 Å |
| α | 85.327 ± 0.006° |
| β | 80.53 ± 0.006° |
| γ | 82.517 ± 0.006° |
| Cell volume | 631.93 ± 0.18 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 | 0.0431 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0907 |
| Weighted residual factors for all reflections included in the refinement | 0.1097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197599 (current) | 2017-06-07 | cif/ Adding structures of 7228412, 7228413, 7228414, 7228415, 7228416, 7228417 via cif-deposit CGI script. |
7228414.cif |
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Users of the data should acknowledge the original authors of the
structural data.