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Information card for entry 2240400
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| Coordinates | 2240400.cif |
|---|---|
| Structure factors | 2240400.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-3-(Furan-2-yl)-1-phenylprop-2-en-1-one |
|---|---|
| Formula | C13 H10 O2 |
| Calculated formula | C13 H10 O2 |
| SMILES | o1c(/C=C/C(=O)c2ccccc2)ccc1 |
| Title of publication | Crystal structure of the chalcone (<i>E</i>)-3-(furan-2-yl)-1-phenylprop-2-en-1-one |
| Authors of publication | Vázquez-Vuelvas, Oscar F.; Enríquez-Figueroa, René A.; García-Ortega, Héctor; Flores-Alamo, Marcos; Pineda-Contreras, Armando |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | 161 - 164 |
| a | 9.5296 ± 0.0007 Å |
| b | 10.1383 ± 0.0007 Å |
| c | 11.1595 ± 0.0007 Å |
| α | 90° |
| β | 103.922 ± 0.006° |
| γ | 90° |
| Cell volume | 1046.49 ± 0.13 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 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 | 0.0716 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.0999 |
| Weighted residual factors for all reflections included in the refinement | 0.1145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240400.cif 2240400.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240400.cif 2240400.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240400.cif 2240400.hkl |
| 129979 | 2015-01-18 | cif/ hkl/ Adding structures of 2240400 via cif-deposit CGI script. |
2240400.cif 2240400.hkl |
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Users of the data should acknowledge the original authors of the
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