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Information card for entry 1516719
Preview
Coordinates | 1516719.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H20.6667 N2 O0.3333 |
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Calculated formula | C29 H20 N2 O0.333333 |
SMILES | c1cccc2c1cc1ccccc1c2c1[nH]c(c(c2ccccc2)n1)c1ccccc1.O |
Title of publication | Polymorphism-dependent and piezochromic luminescence based on molecular packing of a conjugated molecule |
Authors of publication | Li, Ruohan; Xiao, Shuzhang; Li, Yi; Lin, Qifei; Zhang, Ronghua; Zhao, Jun; Yang, Changying; Zou, Kun; Li, Dongsheng; Yi, Tao |
Journal of publication | Chemical Science |
Year of publication | 2014 |
Journal volume | 5 |
Journal issue | 10 |
Pages of publication | 3922 |
a | 19.548 ± 0.009 Å |
b | 18.292 ± 0.008 Å |
c | 21.819 ± 0.01 Å |
α | 90° |
β | 108.996 ± 0.005° |
γ | 90° |
Cell volume | 7377 ± 6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
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 | 0.3205 |
Residual factor for significantly intense reflections | 0.1879 |
Weighted residual factors for significantly intense reflections | 0.3855 |
Weighted residual factors for all reflections included in the refinement | 0.4361 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.625 |
Diffraction radiation wavelength | 0.71073 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/1516719.html
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