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Information card for entry 1543436
Preview
Coordinates | 1543436.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H37 N |
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Calculated formula | C42 H37 N |
Title of publication | Benzo[4,5]cyclohepta[1,2-b]fluorene: an isomeric motif for pentacene containing linearly fused five-, six- and seven-membered rings |
Authors of publication | Yang, Xuejin; Shi, Xueliang; Aratani, Naoki; Gonçalves, Théo P.; Huang, Kuo-Wei; Yamada, Hiroko; Chi, Chunyan; Miao, Qian |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 9 |
Pages of publication | 6176 |
a | 20.925 ± 0.002 Å |
b | 8.4456 ± 0.001 Å |
c | 34.677 ± 0.004 Å |
α | 90° |
β | 91.177 ± 0.003° |
γ | 90° |
Cell volume | 6127 ± 1.2 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 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 | 0.1248 |
Residual factor for significantly intense reflections | 0.0652 |
Weighted residual factors for significantly intense reflections | 0.1536 |
Weighted residual factors for all reflections included in the refinement | 0.1851 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1543436.html
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