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Information card for entry 2237457
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| Coordinates | 2237457.cif |
|---|---|
| Structure factors | 2237457.hkl |
| Original IUCr paper | HTML |
| Chemical name | (4-Methoxyphenyl)(4-propylcyclohexyl)methanone |
|---|---|
| Formula | C17 H24 O2 |
| Calculated formula | C17 H24 O2 |
| SMILES | O=C(c1ccc(OC)cc1)C1CCC(CC1)CCC |
| Title of publication | (4-Methoxyphenyl)(4-propylcyclohexyl)methanone |
| Authors of publication | Wang, Ling; Chang, Zi-Qian; Zhang, Jie; Li, Cheng-Min |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | o404 |
| a | 5.679 ± 0.001 Å |
| b | 7.326 ± 0.0012 Å |
| c | 35.02 ± 0.004 Å |
| α | 93.74 ± 0.01° |
| β | 91.877 ± 0.006° |
| γ | 94.436 ± 0.001° |
| Cell volume | 1448.5 ± 0.4 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 | 0.0566 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1193 |
| Weighted residual factors for all reflections included in the refinement | 0.1292 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181296 (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 2/23/74. |
2237457.cif 2237457.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. |
2237457.cif 2237457.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237457.cif 2237457.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237457.cif 2237457.hkl |
| 78738 | 2013-04-02 | cif/ Adding structures of 2237457 via cif-deposit CGI script. |
2237457.cif |
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