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Information card for entry 2233227
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| Coordinates | 2233227.cif |
|---|---|
| Structure factors | 2233227.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | (<i>E</i>)-Methyl 2-[(2-formyl-6-methoxyphenoxy)methyl]-3-phenylacrylate |
|---|---|
| Formula | C19 H18 O5 |
| Calculated formula | C19 H18 O5 |
| SMILES | O=C(OC)C(=C\c1ccccc1)\COc1c(cccc1OC)C=O |
| Title of publication | (<i>E</i>)-Methyl 2-[(2-formyl-6-methoxyphenoxy)methyl]-3-phenylacrylate |
| Authors of publication | Anuradha, T.; Sivakumar, G.; Seshadri, P. R.; Bakthadoss, M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | o229 |
| a | 8.4696 ± 0.0005 Å |
| b | 12.1662 ± 0.0007 Å |
| c | 16.986 ± 0.0009 Å |
| α | 94.423 ± 0.003° |
| β | 100.038 ± 0.003° |
| γ | 103.475 ± 0.003° |
| Cell volume | 1663.33 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0792 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.1135 |
| Weighted residual factors for all reflections included in the refinement | 0.1367 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
| Diffraction radiation wavelength | 0.71073 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. |
2233227.cif 2233227.hkl |
| 181254 | 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 2/23/32. |
2233227.cif 2233227.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. |
2233227.cif 2233227.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233227.cif 2233227.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. | 2233227.cif 2233227.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233227.cif 2233227.hkl |
| 32286 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233227 via cif-deposit CGI script. |
2233227.cif |
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Users of the data should acknowledge the original authors of the
structural data.