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Information card for entry 4502089
Preview
| Coordinates | 4502089.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 7,16-Diazonia-18-crown-6 bis(salicylate) trihydrate |
|---|---|
| Chemical name | 1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane bis(2-hydroxybenzoate) trihydrate |
| Formula | C26 H44 N2 O13 |
| Calculated formula | C26 H38 N2 O12.709 |
| Title of publication | Structural Study of Salicylic Acid Salts of a Series of Azacycles and Azacrown Ethers† |
| Authors of publication | Fonari, Marina S.; Ganin, Eduard V.; Basok, Stepan S.; Lyssenko, Konstantin A.; Zaworotko, Michael J.; Kravtsov, Victor Ch. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2010 |
| Journal volume | 10 |
| Journal issue | 12 |
| Pages of publication | 5210 |
| a | 9.434 ± 0.002 Å |
| b | 12.587 ± 0.003 Å |
| c | 13.843 ± 0.002 Å |
| α | 98.175 ± 0.004° |
| β | 90.721 ± 0.002° |
| γ | 111.355 ± 0.003° |
| Cell volume | 1511.7 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.181 |
| Residual factor for significantly intense reflections | 0.0923 |
| Weighted residual factors for significantly intense reflections | 0.2341 |
| Weighted residual factors for all reflections included in the refinement | 0.27 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.912 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179551 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/20. |
4502089.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4502089.cif |
| 36238 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4502084, 4502085, 4502086, 4502087, 4502088, 4502089 via cif-deposit CGI script. |
4502089.cif |
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Users of the data should acknowledge the original authors of the
structural data.