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Information card for entry 2232632
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| Coordinates | 2232632.cif |
|---|---|
| Structure factors | 2232632.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 2,2-[(<i>E</i>)-3,3-Diphenylprop-2-ene-1,1-diyl]bis(3-hydroxycyclohex-2- en-1-one) |
|---|---|
| Formula | C27 H26 O4 |
| Calculated formula | C27 H26 O4 |
| SMILES | O=C1C(=C(O)CCC1)C(C1=C(O)CCCC1=O)/C=C(c1ccccc1)/c1ccccc1 |
| Title of publication | 2,2-[(<i>E</i>)-3,3-Diphenylprop-2-ene-1,1-diyl]bis(3-hydroxycyclohex-2-en-1-one) |
| Authors of publication | Lee, Jae Kyun; Min, Sun-Joon; Cho, Yong Seo; Cha, Joo Hwan; Sato, Hiroyasu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | o3407 |
| a | 9.7329 ± 0.0005 Å |
| b | 18.6106 ± 0.0009 Å |
| c | 24.6522 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4465.4 ± 0.4 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0653 |
| Weighted residual factors for all reflections included in the refinement | 0.2305 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2232632.cif 2232632.hkl |
| 181248 | 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. |
2232632.cif 2232632.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. |
2232632.cif 2232632.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232632.cif 2232632.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. | 2232632.cif 2232632.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232632.cif 2232632.hkl |
| 31505 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232632 via cif-deposit CGI script. |
2232632.cif |
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Users of the data should acknowledge the original authors of the
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