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Information card for entry 2021759
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| Coordinates | 2021759.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | divanillin |
|---|---|
| Chemical name | 6,6'-Dihydroxy-5,5'-dimethoxy-[1,1'-biphenyl]-3,3'-dicarbaldehyde |
| Formula | C16 H14 O6 |
| Calculated formula | C16 H14 O6 |
| SMILES | c1(cc(c(c(c1)c1cc(C=O)cc(OC)c1O)O)OC)C=O |
| Title of publication | Four interpenetrating hydrogen-bonded three-dimensional networks in divanillin |
| Authors of publication | Marcos R. Imer; Virginia Aldabalde; Silvina Pagola; Jacco van de Streek; Leopoldo Suescun |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 12 |
| Pages of publication | 1768 - 1773 |
| a | 12.28767 ± 0.00011 Å |
| b | 13.972 ± 0.00018 Å |
| c | 3.93043 ± 0.00004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 674.789 ± 0.013 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 32 |
| Hermann-Mauguin space group symbol | P b a 2 |
| Hall space group symbol | P 2 -2ab |
| Goodness-of-fit parameter for all reflections | 2.3 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5406 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217822 (current) | 2019-08-29 | cif/ Adding structures of 2021759 via cif-deposit CGI script. |
2021759.cif |
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