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Information card for entry 2237467
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| Coordinates | 2237467.cif |
|---|---|
| Structure factors | 2237467.hkl |
| Original IUCr paper | HTML |
| Chemical name | Methyl 3',4',5'-trimethoxybiphenyl-4-carboxylate |
|---|---|
| Formula | C17 H18 O5 |
| Calculated formula | C17 H18 O5 |
| SMILES | COC(=O)c1ccc(cc1)c1cc(OC)c(c(c1)OC)OC |
| Title of publication | Methyl 3',4',5'-trimethoxybiphenyl-4-carboxylate |
| Authors of publication | Lahtinen, Manu; Nättinen, Kalle; Nummelin, Sami |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | o383 |
| a | 7.9103 ± 0.0005 Å |
| b | 8.6054 ± 0.0007 Å |
| c | 11.8779 ± 0.0007 Å |
| α | 92.834 ± 0.006° |
| β | 92.448 ± 0.005° |
| γ | 115.822 ± 0.007° |
| Cell volume | 725.06 ± 0.1 Å3 |
| Cell temperature | 123.01 ± 0.1 K |
| Ambient diffraction temperature | 123.01 ± 0.1 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 | 0.0364 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0937 |
| Weighted residual factors for all reflections included in the refinement | 0.096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181296 (current) | 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 2/23/74. |
2237467.cif 2237467.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. |
2237467.cif 2237467.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237467.cif 2237467.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237467.cif 2237467.hkl |
| 78752 | 2013-04-02 | cif/ Adding structures of 2237467 via cif-deposit CGI script. |
2237467.cif |
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Users of the data should acknowledge the original authors of the
structural data.