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Information card for entry 1506168
Preview
| Coordinates | 1506168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C23 H26 O6 |
|---|---|
| Calculated formula | C23 H26 O6 |
| SMILES | O=C1[C@H]2C(CCC[C@@]32c2c([C@H]1OC3=O)cc(c(O)c(c2=O)C(=O)C)C(C)C)(C)C |
| Title of publication | Przewalskin A: A new C23 terpenoid with a 6/6/7 carbon ring skeleton from Salvia przewalskii maxim. |
| Authors of publication | Xu, Gang; Hou, Ai-Jun; Wang, Rui-Rui; Liang, Guang-Yu; Zheng, Yong-Tang; Liu, Ze-Yuan; Li, Xiao-Li; Zhao, Yu; Huang, Sheng-Xiong; Peng, Li-Yan; Zhao, Qin-Shi |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 20 |
| Pages of publication | 4453 - 4456 |
| a | 6.072 ± 0.004 Å |
| b | 15.035 ± 0.004 Å |
| c | 22.423 ± 0.006 Å |
| α | 90 ± 0.02° |
| β | 90 ± 0.04° |
| γ | 90 ± 0.04° |
| Cell volume | 2047.1 ± 1.6 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 | 0.1322 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1281 |
| Weighted residual factors for all reflections included in the refinement | 0.1625 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506168.cif |
| 176729 | 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. |
1506168.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506168.cif |
| 48054 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506168 via cif-deposit CGI script. |
1506168.cif |
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Users of the data should acknowledge the original authors of the
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