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Information card for entry 2239570
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| Coordinates | 2239570.cif |
|---|---|
| Structure factors | 2239570.hkl |
| Original IUCr paper | HTML |
| Chemical name | 9-Allyl-9<i>H</i>-fluoren-9-ol |
|---|---|
| Formula | C16 H14 O |
| Calculated formula | C16 H14 O |
| SMILES | C=CCC1(O)c2ccccc2c2c1cccc2 |
| Title of publication | 9-Allyl-9<i>H</i>-fluoren-9-ol |
| Authors of publication | Knight, Kyle S.; Wood, Harvey B. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | o677 |
| a | 9.3789 ± 0.0015 Å |
| b | 12.2809 ± 0.0018 Å |
| c | 12.936 ± 0.002 Å |
| α | 63.995 ± 0.004° |
| β | 68.803 ± 0.004° |
| γ | 69.887 ± 0.004° |
| Cell volume | 1217.6 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200.15 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0423 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0992 |
| Weighted residual factors for all reflections included in the refinement | 0.1045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239570.cif 2239570.hkl |
| 181314 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/95. |
2239570.cif 2239570.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239570.cif 2239570.hkl |
| 113947 | 2014-05-18 | cif/ hkl/ Adding structures of 2239570 via cif-deposit CGI script. |
2239570.cif 2239570.hkl |
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Users of the data should acknowledge the original authors of the
structural data.