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Information card for entry 7228518
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| Coordinates | 7228518.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol) |
|---|---|
| Formula | C28 H18 O2 |
| Calculated formula | C28 H18 O2 |
| SMILES | OC1(C#CC2(O)c3c(c4c2cccc4)cccc3)c2c(c3c1cccc3)cccc2 |
| Title of publication | Selectivity of Aliphatic Alcohols by Host-Guest Chemistry |
| Authors of publication | Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 18.455 ± 0.004 Å |
| b | 14.363 ± 0.003 Å |
| c | 15.938 ± 0.003 Å |
| α | 90° |
| β | 113.45 ± 0.03° |
| γ | 90° |
| Cell volume | 3875.7 ± 1.6 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0446 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0982 |
| Weighted residual factors for all reflections included in the refinement | 0.1033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197955 (current) | 2017-06-20 | cif/ Adding structures of 7228518, 7228519, 7228520, 7228521, 7228522, 7228523 via cif-deposit CGI script. |
7228518.cif |
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