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Information card for entry 1508923
Preview
| Coordinates | 1508923.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | (3S,4AR)-8-hydroxy-3-methyl-3,4,4A,5,6, 7-hexahydro-1h-isochromen-1-one |
|---|---|
| Formula | C10 H14 O3 |
| Calculated formula | C10 H14 O3 |
| SMILES | C1(=O)O[C@@H](C[C@@H]2CCCC(=C12)O)C |
| Title of publication | Tubulin Inhibitors from an Endophytic Fungus Isolated from Cedrus deodara. |
| Authors of publication | Kumar, Manjeet; Qadri, Masroor; Sharma, Parduman Raj; Kumar, Arvind; Andotra, Samar S.; Kaur, Tandeep; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni; Hamid, Abid; Johri, Sarojini; Taneja, Subhash C.; Vishwakarma, Ram A.; Riyaz-Ul-Hassan, Syed; Shah, Bhahwal Ali |
| Journal of publication | Journal of natural products |
| Year of publication | 2013 |
| Journal volume | 76 |
| Journal issue | 2 |
| Pages of publication | 194 - 199 |
| a | 7.9356 ± 0.0004 Å |
| b | 7.1221 ± 0.0004 Å |
| c | 8.5697 ± 0.0006 Å |
| α | 90° |
| β | 102.824 ± 0.006° |
| γ | 90° |
| Cell volume | 472.26 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0542 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1022 |
| Weighted residual factors for all reflections included in the refinement | 0.1088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| 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. |
1508923.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. |
1508923.cif |
| 75481 | 2013-03-10 | cif/ Adding structures of 1508923 via cif-deposit CGI script. |
1508923.cif |
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Users of the data should acknowledge the original authors of the
structural data.