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Information card for entry 4037174
Preview
Coordinates | 4037174.cif |
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Original paper (by DOI) | HTML |
Formula | C50 H56 N2 Si2 |
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Calculated formula | C50 H56 N2 Si2 |
SMILES | c1(c2nc3ccc4cc5ccccc5cc4c3nc2c(c2cc3ccccc3cc12)C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](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 | 13.744 ± 0.012 Å |
b | 17.701 ± 0.015 Å |
c | 19.206 ± 0.016 Å |
α | 104.207 ± 0.019° |
β | 90.814 ± 0.017° |
γ | 97.893 ± 0.019° |
Cell volume | 4481 ± 7 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2939 |
Residual factor for significantly intense reflections | 0.2307 |
Weighted residual factors for significantly intense reflections | 0.5188 |
Weighted residual factors for all reflections included in the refinement | 0.5534 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.127 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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