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Information card for entry 4037178
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Coordinates | 4037178.cif |
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Original paper (by DOI) | HTML |
Formula | C41 H52 N2 Si2 |
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Calculated formula | C41 H52 N2 Si2 |
SMILES | [Si](C#Cc1c2c(c(c3c1cccc3)C#C[Si](C(C)C)(C(C)C)C(C)C)nc1Cc3ccccc3c1n2)(C(C)C)(C(C)C)C(C)C |
Title of publication | Bent N-Heteroarenes. |
Authors of publication | Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 18 |
Pages of publication | 8485 - 8494 |
a | 17.38 ± 0.009 Å |
b | 8.062 ± 0.004 Å |
c | 27.836 ± 0.013 Å |
α | 90° |
β | 104.082 ± 0.011° |
γ | 90° |
Cell volume | 3783 ± 3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.1246 |
Residual factor for significantly intense reflections | 0.0777 |
Weighted residual factors for significantly intense reflections | 0.1928 |
Weighted residual factors for all reflections included in the refinement | 0.2227 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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