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Information card for entry 1501810
Preview
| Coordinates | 1501810.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C17 H22 O4 |
|---|---|
| Calculated formula | C17 H22 O4 |
| SMILES | C1=C2C(C=C(O1)C)=CC(=O)[C@]([C@H]2CC(=O)[C@H](CC)C)(C)O |
| Title of publication | Azaphilones and p-terphenyls from the mangrove endophytic fungus Penicillium chermesinum (ZH4-E2) isolated from the South China Sea. |
| Authors of publication | Huang, Hongbo; Feng, Xiaojun; Xiao, Ze'en; Liu, Lan; Li, Hanxiang; Ma, Lin; Lu, Yongjun; Ju, Jianhua; She, Zhigang; Lin, Yongcheng |
| Journal of publication | Journal of natural products |
| Year of publication | 2011 |
| Journal volume | 74 |
| Journal issue | 5 |
| Pages of publication | 997 - 1002 |
| a | 5.8825 ± 0.0001 Å |
| b | 8.9553 ± 0.0002 Å |
| c | 14.6363 ± 0.00015 Å |
| α | 90° |
| β | 100.671 ± 0.001° |
| γ | 90° |
| Cell volume | 757.7 ± 0.02 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0344 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0744 |
| Weighted residual factors for all reflections included in the refinement | 0.0772 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| 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. |
1501810.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. |
1501810.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501810.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501810.cif |
| 35164 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501810 via cif-deposit CGI script. |
1501810.cif |
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