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Information card for entry 7129204
Preview
| Coordinates | 7129204.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H16 |
|---|---|
| Calculated formula | C17 H16 |
| Title of publication | TfOH catalysed domino-double annulation of arenes with propargylic alcohols: A unified approach to indene polycyclic systems |
| Authors of publication | Baire, Beeraiah; Yadav, Bhavna |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 7.5288 ± 0.0003 Å |
| b | 8.6068 ± 0.0003 Å |
| c | 10.6262 ± 0.0004 Å |
| α | 81.5606 ± 0.0018° |
| β | 72.1189 ± 0.0019° |
| γ | 67.1244 ± 0.0018° |
| Cell volume | 603.47 ± 0.04 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0646 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1029 |
| Weighted residual factors for all reflections included in the refinement | 0.1173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270308 (current) | 2021-11-05 | cif/ Adding structures of 7129204 via cif-deposit CGI script. |
7129204.cif |
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