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Information card for entry 1501797
Preview
| Coordinates | 1501797.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H17 N3 O7 |
|---|---|
| Calculated formula | C12 H17 N3 O7 |
| SMILES | O=C(O)c1c(N/N=C(C(=O)NCC(=O)O)\C)cccc1.O.O |
| Title of publication | N-hydroxypyridones, phenylhydrazones, and a quinazolinone from Isaria farinosa. |
| Authors of publication | Ma, Cheng; Li, Yan; Niu, Shubin; Zhang, Hua; Liu, Xingzhong; Che, Yongsheng |
| Journal of publication | Journal of natural products |
| Year of publication | 2011 |
| Journal volume | 74 |
| Journal issue | 1 |
| Pages of publication | 32 - 37 |
| a | 8.933 ± 0.002 Å |
| b | 9.339 ± 0.002 Å |
| c | 9.9444 ± 0.0018 Å |
| α | 116.449 ± 0.007° |
| β | 100.762 ± 0.011° |
| γ | 92.763 ± 0.012° |
| Cell volume | 721.5 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0564 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1448 |
| Weighted residual factors for all reflections included in the refinement | 0.1472 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.222 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1501797.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. |
1501797.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501797.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501797.cif |
| 35151 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501797 via cif-deposit CGI script. |
1501797.cif |
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Users of the data should acknowledge the original authors of the
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