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Information card for entry 2229242
Preview
| Coordinates | 2229242.cif |
|---|---|
| Structure factors | 2229242.hkl |
| Original IUCr paper | HTML |
| Chemical name | 16-Isopropyl-5,9-dimethyltetracyclo[10.2.2.0^1,10^.0^4,9^] hexadec-15-ene-5,14-dimethanol |
|---|---|
| Formula | C23 H38 O2 |
| Calculated formula | C23 H38 O2 |
| SMILES | OC[C@@H]1C[C@H]2C[C@H]3[C@]1(CC[C@@H]1[C@]3(C)CCC[C@@]1(C)CO)C=C2C(C)C |
| Title of publication | 16-Isopropyl-5,9-dimethyltetracyclo[10.2.2.0^1,10^.0^4,9^]hexadec-15-ene-5,14-dimethanol |
| Authors of publication | Li, Jian; Rao, Xiao-ping; Shang, Shi-bin; Gao, Yanqing |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | o359 |
| a | 12.986 ± 0.003 Å |
| b | 25.583 ± 0.005 Å |
| c | 14.292 ± 0.003 Å |
| α | 90° |
| β | 116.19 ± 0.03° |
| γ | 90° |
| Cell volume | 4260.6 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1132 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1257 |
| Weighted residual factors for all reflections included in the refinement | 0.1601 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181213 (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 2/22/92. |
2229242.cif 2229242.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. |
2229242.cif 2229242.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229242.cif 2229242.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. | 2229242.cif 2229242.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229242.cif 2229242.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229242.cif 2229242.hkl |
| 12333 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229242 via cif-deposit CGI script. |
2229242.cif |
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Users of the data should acknowledge the original authors of the
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