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Information card for entry 2232619
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| Coordinates | 2232619.cif |
|---|---|
| Structure factors | 2232619.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-2,2'-[3-(2-Nitrophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxy-5,5- dimethylcyclohex-2-en-1-one) |
|---|---|
| Formula | C25 H29 N O6 |
| Calculated formula | C25 H29 N O6 |
| Title of publication | (<i>E</i>)-2,2'-[3-(2-Nitrophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one) |
| Authors of publication | Cha, Joo Hwan; Kim, Young Hee; Min, Sun-Joon; Cho, Yong Seo; Lee, Jae Kyun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | o3153 |
| a | 9.8306 ± 0.0014 Å |
| b | 11.0841 ± 0.0014 Å |
| c | 11.9602 ± 0.0013 Å |
| α | 69.601 ± 0.003° |
| β | 79.867 ± 0.004° |
| γ | 72.588 ± 0.004° |
| Cell volume | 1161.8 ± 0.3 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0638 |
| Weighted residual factors for all reflections included in the refinement | 0.1907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181248 (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 2/23/26. |
2232619.cif 2232619.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. |
2232619.cif 2232619.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232619.cif 2232619.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. | 2232619.cif 2232619.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232619.cif 2232619.hkl |
| 31492 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232619 via cif-deposit CGI script. |
2232619.cif |
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Users of the data should acknowledge the original authors of the
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