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Information card for entry 2226973
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| Coordinates | 2226973.cif |
|---|---|
| Structure factors | 2226973.hkl |
| Original IUCr paper | HTML |
| Chemical name | Cycloart-24-ene-3<i>β</i>,26-diol |
|---|---|
| Formula | C30 H50 O2 |
| Calculated formula | C30 H50 O2 |
| SMILES | OC/C(=C/CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)O)C)C)C |
| Title of publication | Cycloart-24-ene-3<i>{β</i>},26-diol from the leaves of <i>Aglaia exima</i> |
| Authors of publication | Awang, Khalijah; Loong, Xe Min; Mohamad, Khalit; Chong, Soon Lim; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 8 |
| Pages of publication | o2142 |
| a | 9.995 ± 0.0014 Å |
| b | 7.512 ± 0.001 Å |
| c | 34.82 ± 0.005 Å |
| α | 90° |
| β | 91.029 ± 0.002° |
| γ | 90° |
| Cell volume | 2613.9 ± 0.6 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 | 0.0973 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for significantly intense reflections | 0.1213 |
| Weighted residual factors for all reflections included in the refinement | 0.1427 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181190 (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 2/22/69. |
2226973.cif 2226973.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. |
2226973.cif 2226973.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2226973.cif 2226973.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. | 2226973.cif 2226973.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2226973.cif 2226973.hkl |
| 1704 | 2010-11-03 | hkl/2/ Adding Fobs files for the recently deposited IUCr data. |
2226973.cif 2226973.hkl |
| 1553 | 2010-10-08 | cif/2/ Adding data from Acta-Cryst-E-2010_08/. |
2226973.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.