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Information card for entry 2229986
Preview
| Coordinates | 2229986.cif |
|---|---|
| Structure factors | 2229986.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>rac</i>-12,14-Dicyclopropyl-5,8,13,18,21- pentaoxapentacyclo[13.8.0.0^2,11^.0^4,9^.0^17,22^]tricosa- 1(15),2(11),3,9(10),16,22(23)-hexaene |
|---|---|
| Formula | C24 H24 O5 |
| Calculated formula | C24 H24 O5 |
| SMILES | C1COc2c(O1)cc1c(c2)[C@H](O[C@@H](c2c1cc1OCCOc1c2)C1CC1)C1CC1.C1COc2c(O1)cc1c(c2)[C@@H](O[C@H](c2c1cc1OCCOc1c2)C1CC1)C1CC1 |
| Title of publication | <i>rac</i>-12,14-Dicyclopropyl-5,8,13,18,21-pentaoxapentacyclo[13.8.0.0^2,11^.0^4,9^.0^17,22^]tricosa-1(15),2(11),3,9(10),16,22(23)-hexaene |
| Authors of publication | Tafeenko, Viktor A.; Aslanov, Leonid A.; Puretskiy, Nikolay A.; Fedotov, Aleksander N.; Mochalov, Sergei S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | o1180 |
| a | 14.325 ± 0.002 Å |
| b | 7.393 ± 0.002 Å |
| c | 19.726 ± 0.0012 Å |
| α | 90° |
| β | 109.42 ± 0.02° |
| γ | 90° |
| Cell volume | 1970.2 ± 0.7 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1371 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.1351 |
| Weighted residual factors for all reflections included in the refinement | 0.1696 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.56085 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181220 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/99. |
2229986.cif 2229986.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2229986.cif 2229986.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229986.cif 2229986.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2229986.cif 2229986.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229986.cif 2229986.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2229986.cif 2229986.hkl |
| 20051 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2229986 via cif-deposit CGI script. |
2229986.cif |
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Users of the data should acknowledge the original authors of the
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