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Information card for entry 1501811
Preview
| Coordinates | 1501811.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H33 N O3 |
|---|---|
| Calculated formula | C22 H33 N O3 |
| SMILES | OCCOC(=O)[C@@]1(C)CCC[C@]2([C@H]1CC[C@@]1([C@@H]2CC=C(C1)C)CC#N)C |
| Title of publication | Transformation of isosteviol lactam by fungi and the suppressive effects of its transformed products on LPS-induced iNOS expression in macrophages. |
| Authors of publication | Chou, Bo-Hon; Yang, Li-Ming; Chang, Shwu-Fen; Hsu, Feng-Lin; Wang, Li-Hsuan; Lin, Wen-Kuang; Liu, Pan-Chun; Lin, Shwu-Jiuan |
| Journal of publication | Journal of natural products |
| Year of publication | 2011 |
| Journal volume | 74 |
| Journal issue | 6 |
| Pages of publication | 1379 - 1385 |
| a | 7.7118 ± 0.0012 Å |
| b | 10.43 ± 0.003 Å |
| c | 25.351 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2039.1 ± 0.9 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.153 |
| Residual factor for significantly intense reflections | 0.0611 |
| Weighted residual factors for significantly intense reflections | 0.1239 |
| Weighted residual factors for all reflections included in the refinement | 0.165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1501811.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501811.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501811.cif |
| 35165 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501811 via cif-deposit CGI script. |
1501811.cif |
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Users of the data should acknowledge the original authors of the
structural data.