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Information card for entry 1552114
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| Coordinates | 1552114.cif |
|---|---|
| Structure factors | 1552114.hkl |
| Original IUCr paper | HTML |
| Chemical name | 7-(Biphenyl-4-yl)-6-hydroxyindan-1-one |
|---|---|
| Formula | C21 H16 O2 |
| Calculated formula | C21 H16 O2 |
| SMILES | Oc1ccc2CCC(=O)c2c1c1ccc(cc1)c1ccccc1 |
| Title of publication | 7-(Biphenyl-4-yl)-6-hydroxyindan-1-one |
| Authors of publication | McCoy, Ryan N.; Robertson, Katherine N.; Ylijoki, Kai E. O. |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 7 |
| Pages of publication | x190951 |
| a | 9.384 ± 0.003 Å |
| b | 11.032 ± 0.004 Å |
| c | 14.827 ± 0.005 Å |
| α | 90° |
| β | 102.609 ± 0.004° |
| γ | 90° |
| Cell volume | 1497.9 ± 0.9 Å3 |
| Cell temperature | 125 ± 2 K |
| Ambient diffraction temperature | 125 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.132 |
| Residual factor for significantly intense reflections | 0.0792 |
| Weighted residual factors for significantly intense reflections | 0.203 |
| Weighted residual factors for all reflections included in the refinement | 0.2334 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217104 (current) | 2019-07-17 | cif/ hkl/ Adding structures of 1552114 via cif-deposit CGI script. |
1552114.cif 1552114.hkl |
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Users of the data should acknowledge the original authors of the
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