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Information card for entry 4122967
Preview
Coordinates | 4122967.cif |
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Original paper (by DOI) | HTML |
Formula | C46 H70 N2 Si |
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Calculated formula | C46 H70 N2 Si |
SMILES | [Si]1(C2N(C(CC32CCCCC3)(C)C)c2c(C(C)C)cccc2C1(C)C)=C1N(C(CC21CCCCC2)(C)C)c1c(C(C)C)cccc1C(C)C |
Title of publication | Electron-Induced Conversion of Silylones to Six-Membered Cyclic Silylenes. |
Authors of publication | Roy, Sudipta; Mondal, Kartik Chandra; Krause, Lennard; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Meyer, Jann; Stückl, A Claudia; Maity, Bholanath; Koley, Debasis; Vasa, Suresh Kumar; Xiang, Sheng Qi; Linser, Rasmus; Roesky, Herbert W. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Pages of publication | 141119074807003 |
a | 9.533 ± 0.002 Å |
b | 18.139 ± 0.002 Å |
c | 22.863 ± 0.003 Å |
α | 90° |
β | 93 ± 0.02° |
γ | 90° |
Cell volume | 3948 ± 1.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0831 |
Residual factor for significantly intense reflections | 0.054 |
Weighted residual factors for significantly intense reflections | 0.14 |
Weighted residual factors for all reflections included in the refinement | 0.1562 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.56086 Å |
Diffraction radiation type | AgKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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