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Information card for entry 1518376
Preview
| Coordinates | 1518376.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H16 O4 |
|---|---|
| Calculated formula | C14 H16 O4 |
| SMILES | O1C(=O)C=CC[C@H]1[C@H](O)[C@H](OC)c1ccccc1 |
| Title of publication | Bioactive 6S-Styryllactone Constituents of Polyalthia parviflora. |
| Authors of publication | Liou, Jing-Ru; Wu, Tung-Ying; Thang, Tran Dinh; Hwang, Tsong-Long; Wu, Chin-Chun; Cheng, Yuan-Bin; Chiang, Michael Y.; Lan, Yu-Hsuan; El-Shazly, Mohamed; Wu, Shwu-Li; Beerhues, Ludger; Yuan, Shyng-Shiou; Hou, Ming-Feng; Chen, Shu-Li; Chang, Fang-Rong; Wu, Yang-Chang |
| Journal of publication | Journal of natural products |
| Year of publication | 2014 |
| Journal volume | 77 |
| Journal issue | 12 |
| Pages of publication | 2626 - 2632 |
| a | 8.3051 ± 0.0002 Å |
| b | 9.8097 ± 0.0002 Å |
| c | 15.5103 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1263.63 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0288 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.0661 |
| Weighted residual factors for all reflections included in the refinement | 0.0718 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518376.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. |
1518376.cif |
| 131365 | 2015-02-07 | cif/ Updating files of 1518375, 1518376, 1518377 Original log message: Adding full bibliography for 1518375--1518377.cif. |
1518376.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
1518376.cif |
| 128314 | 2014-12-06 | cif/ Adding structures of 1518376 via cif-deposit CGI script. |
1518376.cif |
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Users of the data should acknowledge the original authors of the
structural data.