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Information card for entry 2237469
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| Coordinates | 2237469.cif |
|---|---|
| Structure factors | 2237469.hkl |
| Original IUCr paper | HTML |
| Chemical name | Methyl 3',5'-dimethoxybiphenyl-4-carboxylate |
|---|---|
| Formula | C16 H16 O4 |
| Calculated formula | C16 H16 O4 |
| SMILES | COc1cc(OC)cc(c1)c1ccc(cc1)C(=O)OC |
| Title of publication | Methyl 3',5'-dimethoxybiphenyl-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 | o460 |
| a | 6.099 ± 0.0009 Å |
| b | 7.1622 ± 0.0016 Å |
| c | 16.2408 ± 0.0018 Å |
| α | 96.589 ± 0.014° |
| β | 91.472 ± 0.011° |
| γ | 112.493 ± 0.018° |
| Cell volume | 649.3 ± 0.2 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 | 0.0477 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.1021 |
| Weighted residual factors for all reflections included in the refinement | 0.1106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| 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. |
2237469.cif 2237469.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. |
2237469.cif 2237469.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. |
2237469.cif 2237469.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237469.cif 2237469.hkl |
| 78755 | 2013-04-02 | cif/ Adding structures of 2237469 via cif-deposit CGI script. |
2237469.cif |
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Users of the data should acknowledge the original authors of the
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