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Information card for entry 1543088
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| Coordinates | 1543088.cif |
|---|---|
| Structure factors | 1543088.hkl |
| Original IUCr paper | HTML |
| Common name | Dihydroxy phenyl tetradecyl ketone |
|---|---|
| Chemical name | 1-(2,6-Dihydroxyphenyl)tetradecan-1-one |
| Formula | C20 H32 O3 |
| Calculated formula | C20 H32 O3 |
| SMILES | c1(c(cccc1O)O)C(=O)CCCCCCCCCCCCC |
| Title of publication | 1-(2,6-Dihydroxyphenyl)tetradecan-1-one: isolated from the fruit rinds of <i>Myristica malabarica</i> |
| Authors of publication | Bauri, A. K.; Foro, Sabine; Do, Nhu Quynh Nguyen |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 4 |
| Pages of publication | x160577 |
| a | 4.2047 ± 0.0006 Å |
| b | 34.146 ± 0.004 Å |
| c | 13.347 ± 0.003 Å |
| α | 90° |
| β | 97.67 ± 0.01° |
| γ | 90° |
| Cell volume | 1899.1 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1364 |
| Residual factor for significantly intense reflections | 0.0857 |
| Weighted residual factors for significantly intense reflections | 0.1395 |
| Weighted residual factors for all reflections included in the refinement | 0.1604 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.299 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182049 (current) | 2016-04-13 | cif/ hkl/ Adding structures of 1543088 via cif-deposit CGI script. |
1543088.cif 1543088.hkl |
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Users of the data should acknowledge the original authors of the
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