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Information card for entry 2236729
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| Coordinates | 2236729.cif |
|---|---|
| Structure factors | 2236729.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-(9<i>H</i>-Fluoren-9-yl)-3-(4-methylphenyl)-1-phenylpropan-1-one |
|---|---|
| Formula | C29 H24 O |
| Calculated formula | C29 H24 O |
| SMILES | Cc1ccc(cc1)C(C1c2ccccc2c2c1cccc2)CC(=O)c1ccccc1 |
| Title of publication | 3-(9<i>H</i>-Fluoren-9-yl)-3-(4-methylphenyl)-1-phenylpropan-1-one |
| Authors of publication | Hu, Wei-Bing; Cui, Zhi-Cai; Liu, Xin-Ping; Feng, Fu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 9 |
| Pages of publication | o2820 |
| a | 9.7188 ± 0.0016 Å |
| b | 10.8189 ± 0.0018 Å |
| c | 11.5132 ± 0.0019 Å |
| α | 75.5 ± 0.003° |
| β | 68.681 ± 0.003° |
| γ | 84.315 ± 0.003° |
| Cell volume | 1091.8 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.0724 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.128 |
| Weighted residual factors for all reflections included in the refinement | 0.1382 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181289 (current) | 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 2/23/67. |
2236729.cif 2236729.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. |
2236729.cif 2236729.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236729.cif 2236729.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2236729.cif 2236729.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236729.cif 2236729.hkl |
| 70332 | 2012-12-21 | cif/ Adding structures of 2236729 via cif-deposit CGI script. |
2236729.cif |
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Users of the data should acknowledge the original authors of the
structural data.