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Information card for entry 8102156
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| Coordinates | 8102156.cif |
|---|---|
| External links | ChemSpider |
| Chemical name | 3'-nitro-4',7-dihydroxyisoflavone |
|---|---|
| Formula | C15 H9 N O6 |
| Calculated formula | C15 H9 N O6 |
| SMILES | N(=O)(=O)c1c(O)ccc(c1)c1coc2c(c1=O)ccc(O)c2 |
| Title of publication | Crystal structure of 3'-nitro-4',7-dihydroxyisoflavone, C~15~H~9~NO~6~ |
| Authors of publication | Tan, Da-Jin; Zhang, Zun-Ting |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 3 |
| Pages of publication | 293 - 294 |
| a | 7.886 ± 0.003 Å |
| b | 8.046 ± 0.003 Å |
| c | 11.116 ± 0.004 Å |
| α | 87.853 ± 0.006° |
| β | 69.68 ± 0.006° |
| γ | 71.245 ± 0.006° |
| Cell volume | 624.1 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1056 |
| Residual factor for significantly intense reflections | 0.0684 |
| Weighted residual factors for significantly intense reflections | 0.1822 |
| Weighted residual factors for all reflections included in the refinement | 0.2139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202018 (current) | 2017-10-14 | cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
8102156.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
8102156.cif |
| 108388 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102156.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102156.cif |
| 12895 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102156 via cif-deposit CGI script. |
8102156.cif |
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