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Information card for entry 2227562
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| Coordinates | 2227562.cif |
|---|---|
| Structure factors | 2227562.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | curcumenol |
|---|---|
| Chemical name | 9-isopropylidene-2,6-dimethyl-11-oxatricyclo[6.2.1.0^1,5^]undec-6-en-8-ol |
| Formula | C15 H22 O2 |
| Calculated formula | C15 H22 O2 |
| SMILES | CC(=C1C[C@]23O[C@]1(O)C=C([C@@H]3CC[C@@H]2C)C)C |
| Title of publication | Curcumenol from <i>Curcuma zedoaria</i>: a second monoclinic modification |
| Authors of publication | Ahmed Hamdi, Omer Abdalla; Awang, Khalijah; Hadi, A. Hamid A.; Syamsir, Devi Rosmy; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | o2844 |
| a | 9.3495 ± 0.0007 Å |
| b | 12.535 ± 0.001 Å |
| c | 11.7727 ± 0.0009 Å |
| α | 90° |
| β | 96.532 ± 0.001° |
| γ | 90° |
| Cell volume | 1370.76 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.047 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0841 |
| Weighted residual factors for all reflections included in the refinement | 0.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2227562.cif 2227562.hkl |
| 181196 | 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 2/22/75. |
2227562.cif 2227562.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. |
2227562.cif 2227562.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227562.cif 2227562.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. | 2227562.cif 2227562.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227562.cif 2227562.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227562.cif 2227562.hkl |
| 4599 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227562 via cif-deposit CGI script. |
2227562.cif |
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Users of the data should acknowledge the original authors of the
structural data.