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Information card for entry 1505800
Preview
| Coordinates | 1505800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | {5-[(2,4-Dinitro-phenyl)-hydrazono]-2-methyl-cyclopent-1-enyl}-methanol |
|---|---|
| Formula | C13 H14 N4 O5 |
| Calculated formula | C13 H14 N4 O5 |
| Title of publication | Cyclopentenones, scaffolds for organic syntheses produced by the endophytic fungus mitosporic dothideomycete sp. LRUB20. |
| Authors of publication | Chomcheon, Porntep; Sriubolmas, Nongluksna; Wiyakrutta, Suthep; Ngamrojanavanich, Nattaya; Chaichit, Narongsak; Mahidol, Chulabhorn; Ruchirawat, Somsak; Kittakoop, Prasat |
| Journal of publication | Journal of natural products |
| Year of publication | 2006 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | 1351 - 1353 |
| a | 7.3291 ± 0.0002 Å |
| b | 14.1613 ± 0.0006 Å |
| c | 15.2631 ± 0.0007 Å |
| α | 108.199 ± 0.002° |
| β | 101.926 ± 0.002° |
| γ | 98.204 ± 0.002° |
| Cell volume | 1435.36 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.2672 |
| Residual factor for significantly intense reflections | 0.0831 |
| Weighted residual factors for significantly intense reflections | 0.2112 |
| Weighted residual factors for all reflections included in the refinement | 0.2951 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.911 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1505800.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505800.cif |
| 47747 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505800 via cif-deposit CGI script. |
1505800.cif |
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Users of the data should acknowledge the original authors of the
structural data.