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Information card for entry 2019769
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| Coordinates | 2019769.cif |
|---|---|
| Structure factors | 2019769.hkl |
| Original IUCr paper | HTML |
| Common name | chalcone |
|---|---|
| Chemical name | (<i>E</i>)-1-(4'-Methoxy-[1,1'-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one |
| Formula | C22 H17 N O4 |
| Calculated formula | C22 H17 N O4 |
| Title of publication | Crystal structure of (E)-1-(4′-methoxy-[1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one |
| Authors of publication | Vidhyasagar, T.; Rajeswari, K.; Shanthi, D.; Kayalvizhi, M.; Vasuki, G.; Thiruvalluvar, A. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | 1 |
| a | 10.1924 ± 0.0003 Å |
| b | 10.8732 ± 0.0003 Å |
| c | 16.9675 ± 0.0006 Å |
| α | 97.926 ± 0.002° |
| β | 93.711 ± 0.002° |
| γ | 107.729 ± 0.002° |
| Cell volume | 1762.6 ± 0.1 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 ± 2 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 all reflections | 0.1325 |
| Residual factor for significantly intense reflections | 0.062 |
| Weighted residual factors for significantly intense reflections | 0.1671 |
| Weighted residual factors for all reflections included in the refinement | 0.2129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181867 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/97. |
2019769.cif 2019769.hkl |
| 180865 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/97. |
2019769.cif 2019769.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019769.cif 2019769.hkl |
| 128744 | 2014-12-14 | cif/ hkl/ Adding structures of 2019769 via cif-deposit CGI script. |
2019769.cif 2019769.hkl |
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Users of the data should acknowledge the original authors of the
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