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Information card for entry 4037173
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Coordinates | 4037173.cif |
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Original paper (by DOI) | HTML |
Formula | C46 H54 N2 Si2 |
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Calculated formula | C46 H54 N2 Si2 |
SMILES | [Si](C#Cc1c2nc3ccc4cc5ccccc5cc4c3nc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2ccccc12)(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 | 36.272 ± 0.008 Å |
b | 7.413 ± 0.0016 Å |
c | 29.889 ± 0.007 Å |
α | 90° |
β | 94.279 ± 0.005° |
γ | 90° |
Cell volume | 8014 ± 3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.088 |
Residual factor for significantly intense reflections | 0.0514 |
Weighted residual factors for significantly intense reflections | 0.113 |
Weighted residual factors for all reflections included in the refinement | 0.128 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/4037173.html
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