Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2226430
Preview
| Coordinates | 2226430.cif |
|---|---|
| Structure factors | 2226430.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1<i>R</i>,4a<i>R</i>,7<i>S</i>,8a<i>S</i>,10a<i>S</i>)-1,4a,7-trimethyl-7- vinyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid |
|---|---|
| Formula | C20 H30 O2 |
| Calculated formula | C20 H30 O2 |
| SMILES | C=C[C@@]1(C)CC=C2[C@H](C1)CC[C@H]1[C@@]2(C)CCC[C@@]1(C)C(=O)O |
| Title of publication | Acanthoic acid |
| Authors of publication | Suwancharoen, Sunisa; Tommeurd, Wantanee; Phurat, Chuttree; Muangsin, Nongnuj; Pornpakakul, Surachai |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 7 |
| Pages of publication | o1531 |
| a | 12.8697 ± 0.0016 Å |
| b | 12.8697 ± 0.0016 Å |
| c | 21.768 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3605.4 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 78 |
| Hermann-Mauguin space group symbol | P 43 |
| Hall space group symbol | P 4cw |
| Residual factor for significantly intense reflections | 0.0561 |
| Weighted residual factors for all reflections included in the refinement | 0.1575 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181185 (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 2/22/64. |
2226430.cif 2226430.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. |
2226430.cif 2226430.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2226430.cif 2226430.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. | 2226430.cif 2226430.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2226430.cif 2226430.hkl |
| 1452 | 2010-10-08 | hkl/ Adding Fobs data for the recent IUCr structure deposition. NB. This revision is recomitted anew after it appeared that in the original COD repository revision file '1452' was corrupt. |
2226430.cif 2226430.hkl |
| 1284 | 2010-08-08 | cif/2/ Adding the processed IUCr 2010 June and July CIFs. |
2226430.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.