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Information card for entry 4037171
Preview
Coordinates | 4037171.cif |
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Original paper (by DOI) | HTML |
Formula | C44 H52 N4 Si2 |
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Calculated formula | C44 H52 N4 Si2 |
SMILES | c1(c2nc3ccc4ccccc4c3nc2c(c2nc3ccccc3nc12)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 | 14.2395 ± 0.0014 Å |
b | 17.3295 ± 0.0017 Å |
c | 18.5476 ± 0.0018 Å |
α | 74 ± 0.003° |
β | 68.894 ± 0.003° |
γ | 76.175 ± 0.003° |
Cell volume | 4054.3 ± 0.7 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 | 0.1926 |
Residual factor for significantly intense reflections | 0.1186 |
Weighted residual factors for significantly intense reflections | 0.2852 |
Weighted residual factors for all reflections included in the refinement | 0.3145 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.601 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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