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Information card for entry 1516799
Preview
| Coordinates | 1516799.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H25 Br3 O6 |
|---|---|
| Calculated formula | C32 H25 Br3 O6 |
| SMILES | Brc1ccc(C(=O)OCC[C@H](OC(=O)c2ccc(Br)cc2)[C@H](OC(=O)c2ccc(Br)cc2)Cc2ccccc2)cc1 |
| Title of publication | Endoplasmic Reticulum Stress Suppressive Compounds from the Edible Mushroom Mycoleptodonoides aitchisonii. |
| Authors of publication | Choi, Jae-Hoon; Suzuki, Tomohiro; Okumura, Hiroshi; Noguchi, Keiichi; Kondo, Mitsuru; Nagai, Kaoru; Hirai, Hirofumi; Kawagishi, Hirokazu |
| Journal of publication | Journal of natural products |
| Year of publication | 2014 |
| Journal volume | 77 |
| Journal issue | 7 |
| Pages of publication | 1729 - 1733 |
| a | 14.899 ± 0.003 Å |
| b | 5.697 ± 0.0011 Å |
| c | 17.092 ± 0.005 Å |
| α | 90° |
| β | 93.694 ± 0.007° |
| γ | 90° |
| Cell volume | 1447.7 ± 0.6 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.066 |
| Weighted residual factors for all reflections included in the refinement | 0.1287 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| 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. |
1516799.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. |
1516799.cif |
| 121296 | 2014-08-05 | cif/ Updating files of 1516798, 1516799 Original log message: Adding full bibliography for 1516798--1516799.cif. |
1516799.cif |
| 118956 | 2014-07-04 | cif/ Adding structures of 1516799 via cif-deposit CGI script. |
1516799.cif |
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