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Information card for entry 2238337
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| Coordinates | 2238337.cif |
|---|---|
| Structure factors | 2238337.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-2,2'-[3-(4-Chlorophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one) |
|---|---|
| Formula | C25 H29 Cl O4 |
| Calculated formula | C25 H29 Cl O4 |
| SMILES | Clc1ccc(cc1)/C=C/C(C1=C(O)CC(CC1=O)(C)C)C1=C(O)CC(CC1=O)(C)C |
| Title of publication | (<i>E</i>)-2,2'-[3-(4-Chlorophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one) |
| Authors of publication | Cha, Joo Hwan; Lee, Jae Kyun; Min, Sun-Joon; Cho, Yong Seo; Park, Junghwan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1347 |
| a | 25.8781 ± 0.0016 Å |
| b | 9.782 ± 0.0006 Å |
| c | 20.9904 ± 0.0011 Å |
| α | 90° |
| β | 121.292 ± 0.0015° |
| γ | 90° |
| Cell volume | 4540.6 ± 0.5 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for all reflections included in the refinement | 0.1352 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181305 (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 2/23/83. |
2238337.cif 2238337.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. |
2238337.cif 2238337.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238337.cif 2238337.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238337.cif 2238337.hkl |
| 88176 | 2013-09-04 | cif/ Adding structures of 2238337 via cif-deposit CGI script. |
2238337.cif |
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