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Information card for entry 4000037
Preview
| Coordinates | 4000037.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 N2 O4 |
|---|---|
| Calculated formula | C20 H18 N2 O4 |
| SMILES | O=n1ccc(cc1)C.Oc1ccc(cc1)/C=C/c1ccc(cc1)N(=O)=O |
| Title of publication | Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O–H···O and C–H···O Hydrogen Bonds for Nonlinear Optics |
| Authors of publication | Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2001 |
| Journal volume | 13 |
| Journal issue | 5 |
| Pages of publication | 1473 - 1479 |
| a | 5.3737 ± 0.0008 Å |
| b | 7.9572 ± 0.0001 Å |
| c | 20.561 ± 0.004 Å |
| α | 90.001 ± 0.01° |
| β | 97.938 ± 0.01° |
| γ | 89.98 ± 0.02° |
| Cell volume | 870.7 ± 0.2 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Diffraction radiation wavelength | 0.5608 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.