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Information card for entry 8102143
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| Coordinates | 8102143.cif |
|---|---|
| External links | ChemSpider |
| Chemical name | 2-phenylquinolin-3,4-diones |
|---|---|
| Formula | C15 H9 N O2 |
| Calculated formula | C15 H9 N O2 |
| SMILES | O=C1C(=Nc2c(C1=O)cccc2)c1ccccc1 |
| Title of publication | Crystal structure of 2-phenylquinolin-3,4-dione, C~15~H~9~NO~2~ |
| Authors of publication | Ganszky, Ildikó; Kaizer, József; Czaun, Miklós; Speier, Gábor; Párkányi, László |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 3 |
| Pages of publication | 259 - 260 |
| a | 3.822 Å |
| b | 12.122 Å |
| c | 13.194 Å |
| α | 115.26° |
| β | 91.28° |
| γ | 93.45° |
| Cell volume | 551.048 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 | 0.0447 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.1092 |
| Weighted residual factors for all reflections included in the refinement | 0.1141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
8102143.cif |
| 176728 | 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 8. |
8102143.cif |
| 108388 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102143.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102143.cif |
| 12882 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102143 via cif-deposit CGI script. |
8102143.cif |
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