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Information card for entry 2228013
Preview
| Coordinates | 2228013.cif |
|---|---|
| Structure factors | 2228013.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>syn</i>-Dispiro[1,3-dioxolane-2,17'-pentacyclo [12.2.1.1^6,9^.0^2,13^.0^5,\10^]octadecane-18',2''-[1,3]dioxolane]-7',15'-diene |
|---|---|
| Formula | C22 H28 O4 |
| Calculated formula | C22 H28 O4 |
| SMILES | O1C2(OCC1)[C@H]1[C@H]3[C@H](CC[C@@H]4[C@H](CC3)[C@@H]3C=C[C@H]4C43OCCO4)[C@@H]2C=C1 |
| Title of publication | <i>syn</i>-Dispiro[1,3-dioxolane-2,17'-pentacyclo[12.2.1.1^6,9^.0^2,13^.0^5,10^]octadecane-18',2''-[1,3]dioxolane]-7',15'-diene |
| Authors of publication | Kachlan, Rulla M.; Ruble, Macey C.; Timmerman, Jacob C.; Etzkorn, Markus; Jones, Daniel S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | o2880 |
| a | 11.4167 ± 0.0011 Å |
| b | 6.7354 ± 0.0007 Å |
| c | 24.185 ± 0.002 Å |
| α | 90° |
| β | 103.521 ± 0.009° |
| γ | 90° |
| Cell volume | 1808.2 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for all reflections included in the refinement | 0.1061 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181201 (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 2/22/80. |
2228013.cif 2228013.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. |
2228013.cif 2228013.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228013.cif 2228013.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. | 2228013.cif 2228013.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228013.cif 2228013.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2228013.cif 2228013.hkl |
| 5050 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2228013 via cif-deposit CGI script. |
2228013.cif |
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Users of the data should acknowledge the original authors of the
structural data.