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Information card for entry 2240594
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| Coordinates | 2240594.cif |
|---|---|
| Structure factors | 2240594.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis(4-methoxyphenyl) malonate |
|---|---|
| Formula | C17 H16 O6 |
| Calculated formula | C17 H16 O6 |
| Title of publication | Crystal structure of bis(4-methoxyphenyl) malonate |
| Authors of publication | Devarajegowda, H. C.; Suchetan, P. A.; Sreenivasa, S.; Srinivasa, H. T.; Palakshamurthy, B. S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | o330 - o331 |
| a | 5.4307 ± 0.0019 Å |
| b | 8.131 ± 0.003 Å |
| c | 36.149 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1596.2 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0699 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.1341 |
| Weighted residual factors for all reflections included in the refinement | 0.1616 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240594.cif 2240594.hkl |
| 136386 | 2015-05-13 | cif/ hkl/ Adding structures of 2240594 via cif-deposit CGI script. |
2240594.cif 2240594.hkl |
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Users of the data should acknowledge the original authors of the
structural data.