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Information card for entry 7213725
Preview
Coordinates | 7213725.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H32 N2 O2 |
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Calculated formula | C28 H32 N2 O2 |
SMILES | c1c(OCCCC)c(/C=C/c2ccncc2)cc(c1/C=C/c1ccncc1)OCCCC |
Title of publication | Two polymorphs and cocrystal of styryl-pyridine derivatives with tuned emission induced by Co2+ and Zn(phen)32+ |
Authors of publication | Zhang, Ruilong; Zhang, Qiong; Liu, Zhaodi; Yang, Longmei; Wu, Jieying; Zhou, Hongping; Yang, Jiaxiang; Tian, Yupeng |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 10 |
Pages of publication | 2039 |
a | 27.908 ± 0.005 Å |
b | 27.908 ± 0.005 Å |
c | 6.521 ± 0.005 Å |
α | 90 ± 0.005° |
β | 90 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 5079 ± 4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a :2 |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.1679 |
Residual factor for significantly intense reflections | 0.0749 |
Weighted residual factors for significantly intense reflections | 0.1921 |
Weighted residual factors for all reflections included in the refinement | 0.2462 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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