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Information card for entry 1546470
Preview
| Coordinates | 1546470.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H14 O |
|---|---|
| Calculated formula | C24 H14 O |
| SMILES | Oc1ccc2cccc3c4c5ccccc5c5ccccc5c4c1c23 |
| Title of publication | Synthesis of π-Extended Fluoranthenes via a KHMDS-Promoted Anionic-Radical Reaction Cascade. |
| Authors of publication | Ogawa, Naoki; Yamaoka, Yousuke; Yamada, Ken-Ichi; Takasu, Kiyosei |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 12 |
| Pages of publication | 3327 - 3330 |
| a | 11.113 ± 0.004 Å |
| b | 4.9271 ± 0.0018 Å |
| c | 13.773 ± 0.005 Å |
| α | 90° |
| β | 101.305 ± 0.012° |
| γ | 90° |
| Cell volume | 739.5 ± 0.5 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1561 |
| Residual factor for significantly intense reflections | 0.1172 |
| Weighted residual factors for significantly intense reflections | 0.3206 |
| Weighted residual factors for all reflections included in the refinement | 0.4226 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.395 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198410 (current) | 2017-07-05 | cif/ Adding structures of 1546470 via cif-deposit CGI script. |
1546470.cif |
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Users of the data should acknowledge the original authors of the
structural data.