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Information card for entry 2238477
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| Coordinates | 2238477.cif |
|---|---|
| Structure factors | 2238477.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tricyclo[3.3.1.0^3,7^]nonane-3,7-diyl bis(4-methylbenzenesulfonate) |
|---|---|
| Formula | C23 H26 O6 S2 |
| Calculated formula | C23 H26 O6 S2 |
| SMILES | Cc1ccc(cc1)S(=O)(=O)O[C@]12C[C@H]3C[C@@]2(C[C@@H](C1)C3)OS(=O)(=O)c1ccc(cc1)C |
| Title of publication | Tricyclo[3.3.1.0^3,7^]nonane-3,7-diyl bis(4-methylbenzenesulfonate) |
| Authors of publication | Ioannou, Savvas; Moushi, Eleni |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | o1464 - o1465 |
| a | 22.3068 ± 0.0008 Å |
| b | 7.5667 ± 0.0002 Å |
| c | 12.7114 ± 0.0005 Å |
| α | 90° |
| β | 98.837 ± 0.004° |
| γ | 90° |
| Cell volume | 2120.07 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.035 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0864 |
| Weighted residual factors for all reflections included in the refinement | 0.0885 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181306 (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 2/23/84. |
2238477.cif 2238477.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. |
2238477.cif 2238477.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238477.cif 2238477.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238477.cif 2238477.hkl |
| 88603 | 2013-10-02 | cif/ Adding structures of 2238477 via cif-deposit CGI script. |
2238477.cif |
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Users of the data should acknowledge the original authors of the
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