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Information card for entry 2006141
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| Coordinates | 2006141.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | p-chloro-(E)-o-stilbenecarboxylic acid |
|---|---|
| Formula | C15 H11 Cl O2 |
| Calculated formula | C15 H11 Cl O2 |
| SMILES | O=C(O)c1ccccc1/C=C/c1ccc(cc1)Cl |
| Title of publication | (<i>E</i>)-<i>o</i>-Stilbenecarboxylic Acid and its <i>p</i>-Methyl, Chloro and Methoxy Derivatives |
| Authors of publication | Hamazaki, Hiroshi; Ohba, Shigeru; Toda, Fumio; Takumi, Hideaki |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 5 |
| Pages of publication | 620 - 624 |
| a | 11.361 ± 0.002 Å |
| b | 5.066 ± 0.003 Å |
| c | 22.71 ± 0.002 Å |
| α | 90° |
| β | 98.45 ± 0.01° |
| γ | 90° |
| Cell volume | 1292.9 ± 0.8 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0699 |
| Weighted residual factors for significantly intense reflections | 0.0531 |
| Goodness-of-fit parameter for significantly intense reflections | 1.25 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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