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Information card for entry 1505961
Preview
| Coordinates | 1505961.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C23 H34 O17 |
|---|---|
| Calculated formula | C23 H34 O17 |
| SMILES | O1[C@@]2(O[C@@H]3O[C@@H]([C@H](OC(=O)C)[C@H](O)[C@H]3O)C)[C@H](OC(=O)[C@]32OC(=O)C[C@@H]3c2ccc(O)cc2)[C@@H](O)C1.O.O.O.O |
| Title of publication | Dichotomains A and B: two new highly oxygenated phenolic derivatives from Dicranopteris dichotoma. |
| Authors of publication | Li, Xiao-Li; Cheng, Xiao; Yang, Liu-Meng; Wang, Rui-Rui; Zheng, Yong-Tang; Xiao, Wei-Lie; Zhao, Yu; Xu, Gang; Lu, Yang; Chang, Ying; Zheng, Qi-Tai; Zhao, Qin-Shi; Sun, Han-Dong |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 9 |
| Pages of publication | 1937 - 1940 |
| a | 11.594 ± 0.002 Å |
| b | 9.74 ± 0.0019 Å |
| c | 13.117 ± 0.003 Å |
| α | 90° |
| β | 111.1 ± 0.03° |
| γ | 90° |
| Cell volume | 1381.9 ± 0.6 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0922 |
| Residual factor for significantly intense reflections | 0.0874 |
| Weighted residual factors for significantly intense reflections | 0.1777 |
| Weighted residual factors for all reflections included in the refinement | 0.1815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.231 |
| 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. |
1505961.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. |
1505961.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505961.cif |
| 47885 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505961 via cif-deposit CGI script. |
1505961.cif |
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