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Information card for entry 1542669
Preview
| Coordinates | 1542669.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H15 F3 S |
|---|---|
| Calculated formula | C26 H15 F3 S |
| SMILES | c12ccccc1c1c(cccc1)C12c2ccccc2Sc2c1cc(cc2)C(F)(F)F |
| Title of publication | Synthesis of Spirocyclic Diarylfluorenes by One-Pot Twofold SNAr Reactions of Diaryl Sulfones with Diarylmethanes. |
| Authors of publication | Bhanuchandra, M.; Yorimitsu, Hideki; Osuka, Atsuhiro |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 3 |
| Pages of publication | 384 - 387 |
| a | 7.4947 ± 0.0008 Å |
| b | 10.4244 ± 0.0011 Å |
| c | 12.3741 ± 0.0015 Å |
| α | 83 ± 0.012° |
| β | 82.694 ± 0.011° |
| γ | 81.603 ± 0.007° |
| Cell volume | 943.36 ± 0.19 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 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 | 0.035 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0909 |
| Weighted residual factors for all reflections included in the refinement | 0.0922 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1542669.cif |
| 177319 | 2016-03-04 | cif/ Adding structures of 1542669 via cif-deposit CGI script. |
1542669.cif |
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Users of the data should acknowledge the original authors of the
structural data.