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Information card for entry 2229607
Preview
| Coordinates | 2229607.cif |
|---|---|
| Structure factors | 2229607.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2<i>E</i>)-3-(2-Anthracen-2-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one |
|---|---|
| Formula | C23 H16 O2 |
| Calculated formula | C23 H16 O2 |
| SMILES | O=C(c1ccccc1O)/C=C/c1c2ccccc2cc2c1cccc2 |
| Title of publication | (2<i>E</i>)-3-(2-Anthracen-2-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one |
| Authors of publication | Jasinski, Jerry P.; Butcher, Ray J.; Musthafa Khaleel, V.; Sarojini, B. K.; Yathirajan, H. S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 4 |
| Pages of publication | o795 |
| a | 14.0748 ± 0.0005 Å |
| b | 13.7362 ± 0.0005 Å |
| c | 16.98 ± 0.0008 Å |
| α | 90° |
| β | 101.487 ± 0.005° |
| γ | 90° |
| Cell volume | 3217.1 ± 0.2 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0542 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1285 |
| Weighted residual factors for all reflections included in the refinement | 0.1338 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181217 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/96. |
2229607.cif 2229607.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2229607.cif 2229607.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229607.cif 2229607.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. | 2229607.cif 2229607.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229607.cif 2229607.hkl |
| 19531 | 2011-05-17 | hkl/2/ Adding Fobs data for the latest IUCr deposition. |
2229607.cif 2229607.hkl |
| 19063 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2229607 via cif-deposit CGI script. |
2229607.cif |
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Users of the data should acknowledge the original authors of the
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