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Information card for entry 1502290
Preview
| Coordinates | 1502290.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H44 O14 |
|---|---|
| Calculated formula | C29 H36 O14 |
| SMILES | O1C(=O)C[C@@H]2[C@@]31C[C@@]14O[C@]([C@@]5(O[C@H]([C@H]3C(O2)(C)C)C[C@H]45)O)(C[C@](CC1)(C(=O)[C@H](/C=C1\OC(=O)C(=C1)C)C)C)O.O.O.O.O |
| Title of publication | Schicagenins A-C: three cagelike nortriterpenoids from leaves and stems of Schisandra chinensis. |
| Authors of publication | Shi, Yi-Ming; Li, Xing-Yao; Li, Xiao-Nian; Luo, Xiao; Xue, Yong-Bo; Liang, Cheng-Qin; Zou, Juan; Kong, Ling-Mei; Li, Yan; Pu, Jian-Xin; Xiao, Wei-Lie; Sun, Han-Dong |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 15 |
| Pages of publication | 3848 - 3851 |
| a | 11.1986 ± 0.0002 Å |
| b | 12.092 ± 0.0002 Å |
| c | 23.6 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3195.76 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0538 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1589 |
| Weighted residual factors for all reflections included in the refinement | 0.1606 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1502290.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502290.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502290.cif |
| 35593 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502290 via cif-deposit CGI script. |
1502290.cif |
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Users of the data should acknowledge the original authors of the
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