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Information card for entry 1501806
Preview
| Coordinates | 1501806.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H18 O5 |
|---|---|
| Calculated formula | C17 H18 O5 |
| SMILES | o1c2c([C@@H]3OC(=O)C(=C3)C[C@@H](OC(=O)C)C=C(C2)C)c(c1)C |
| Title of publication | Secondary metabolites from the roots of Neolitsea daibuensis and their anti-inflammatory activity. |
| Authors of publication | Wong, Su-Ling; Chang, Hsun-Shuo; Wang, Guei-Jane; Chiang, Michael Y.; Huang, Hung-Yi; Chen, Chu-Huang; Tsai, Shiow-Chwen; Lin, Chu-Hung; Chen, Ih-Sheng |
| Journal of publication | Journal of natural products |
| Year of publication | 2011 |
| Journal volume | 74 |
| Journal issue | 12 |
| Pages of publication | 2489 - 2496 |
| a | 7.3433 ± 0.0003 Å |
| b | 11.4642 ± 0.0004 Å |
| c | 9.1189 ± 0.0003 Å |
| α | 90° |
| β | 107.807 ± 0.002° |
| γ | 90° |
| Cell volume | 730.9 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.026 |
| Residual factor for significantly intense reflections | 0.0254 |
| Weighted residual factors for significantly intense reflections | 0.0633 |
| Weighted residual factors for all reflections included in the refinement | 0.0637 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1501806.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501806.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501806.cif |
| 35160 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501806 via cif-deposit CGI script. |
1501806.cif |
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Users of the data should acknowledge the original authors of the
structural data.