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Information card for entry 7248553
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Coordinates | 7248553.cif |
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Original paper (by DOI) | HTML |
Chemical name | Dimethyl aminoterephthalate, 1,2,4,5-tetracyanobenzene |
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Formula | C20 H13 N5 O4 |
Calculated formula | C20 H13 N5 O4 |
Title of publication | Modulation of Luminescent Properties of Cocrystals Composed of Amino Substituted Dimethyl Phthalates and 1,2,4,5-Tetracyanobenzene by Crystal Engineering |
Authors of publication | Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo |
Journal of publication | CrystEngComm |
Year of publication | 2024 |
a | 6.5102 ± 0.0002 Å |
b | 7.1433 ± 0.0002 Å |
c | 9.9181 ± 0.0002 Å |
α | 95.079 ± 0.002° |
β | 90.432 ± 0.002° |
γ | 97.825 ± 0.002° |
Cell volume | 455.06 ± 0.02 Å3 |
Cell temperature | 119.99 ± 0.1 K |
Ambient diffraction temperature | 119.99 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0459 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.0929 |
Weighted residual factors for all reflections included in the refinement | 0.0983 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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