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Information card for entry 4038027
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Coordinates | 4038027.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H8 N |
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Calculated formula | C13 H8 N |
Title of publication | Comparison Study of the Site-Effect on Regioisomeric Pyridyl-Pyrene Conjugates: Synthesis, Structures, and Photophysical Properties. |
Authors of publication | Lu, Qing; Kole, Goutam Kumar; Friedrich, Alexandra; Müller-Buschbaum, Klaus; Liu, Zhiqiang; Yu, Xiaoqiang; Marder, Todd B. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
Journal volume | 85 |
Journal issue | 6 |
Pages of publication | 4256 - 4266 |
a | 5.589 ± 0.005 Å |
b | 20.882 ± 0.005 Å |
c | 7.697 ± 0.005 Å |
α | 90 ± 0.005° |
β | 103.696 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 872.8 ± 1 Å3 |
Cell temperature | 299 ± 2 K |
Ambient diffraction temperature | 299 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0552 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.1191 |
Weighted residual factors for all reflections included in the refinement | 0.1309 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4038027.html
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structural data.