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Information card for entry 2312314
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| Coordinates | 2312314.cif |
|---|---|
| Structure factors | 2312314.hkl |
| Original IUCr paper | HTML |
| Common name | 2-{10-[4-(Diphenylamino)phenyl]acridin-9(10<i>H</i>)-ylidene}malononitrile |
|---|---|
| Chemical name | 2-{10-[4-(Diphenylamino)phenyl]acridin-9-ylidene}propanedinitrile |
| Formula | C34 H22 N4 |
| Calculated formula | C34 H22 N4 |
| SMILES | N(c1ccccc1)(c1ccccc1)c1ccc(N2c3ccccc3C(c3ccccc23)=C(C#N)C#N)cc1 |
| Title of publication | Synthesis, structures and properties of two donor-acceptor acridone-based compounds. |
| Authors of publication | Chen, Ziqiang; Xin, Gaojie; Gao, Penglian; Jin, Yingying |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 10 |
| a | 8.5339 ± 0.0003 Å |
| b | 11.8471 ± 0.0004 Å |
| c | 13.2628 ± 0.0005 Å |
| α | 87.563 ± 0.002° |
| β | 71.508 ± 0.001° |
| γ | 85.627 ± 0.001° |
| Cell volume | 1267.72 ± 0.08 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0772 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.145 |
| Weighted residual factors for all reflections included in the refinement | 0.1572 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286518 (current) | 2023-09-26 | cif/ hkl/ Adding structures of 2312314, 2312315 via cif-deposit CGI script. |
2312314.cif 2312314.hkl |
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Users of the data should acknowledge the original authors of the
structural data.