Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1501904
Preview
| Coordinates | 1501904.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H38 O10 |
|---|---|
| Calculated formula | C28 H38 O10 |
| SMILES | O1[C@]2(O[C@H]3C[C@@H](C1(C)C)[C@]2(O)C[C@]12O[C@]4(O[C@H]5[C@H](OC(=O)[C@H]5C)[C@@H]5[C@H]4[C@](CC2)(C(=O)[C@H]5C)C)C(=O)[C@H]31)C.O |
| Title of publication | Schinarisanlactone A, a new bisnortriterpenoid from Schisandra arisanensis. |
| Authors of publication | Lin, Yu-Chi; Lo, I-Wen; Chen, Shun-Ying; Lin, Pi-Han; Chien, Ching-Te; Chang, Sui-yuan; Shen, Ya-Ching |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 3 |
| Pages of publication | 446 - 449 |
| a | 10.3366 ± 0.0001 Å |
| b | 10.93 ± 0.0001 Å |
| c | 23.5701 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2662.93 ± 0.05 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0591 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1432 |
| Weighted residual factors for all reflections included in the refinement | 0.1484 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| 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. |
1501904.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501904.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501904.cif |
| 35246 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501904 via cif-deposit CGI script. |
1501904.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.