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Information card for entry 4112522
Preview
Coordinates | 4112522.cif |
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Original paper (by DOI) | HTML |
Formula | C48 H50 O2 Si |
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Calculated formula | C48 H50 O2 Si |
SMILES | [Si]1(C(=C(c2ccccc2)C(=C1c1ccccc1)c1ccccc1)c1ccccc1)(C1(O)C2CC3CC(CC1C3)C2)C1(O)C2CC3CC(CC1C3)C2 |
Title of publication | Synthesis of a Silene from 1,1-Dilithiosilole and 2-Adamantanone |
Authors of publication | Irina S. Toulokhonova; Ilia A. Guzei; Robert West |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2004 |
Journal volume | 126 |
Pages of publication | 5336 - 5337 |
a | 17.9305 ± 0.001 Å |
b | 10.7556 ± 0.0006 Å |
c | 20.4058 ± 0.0011 Å |
α | 90° |
β | 109.201 ± 0.001° |
γ | 90° |
Cell volume | 3716.4 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0666 |
Residual factor for significantly intense reflections | 0.0515 |
Weighted residual factors for significantly intense reflections | 0.1337 |
Weighted residual factors for all reflections included in the refinement | 0.1424 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4112522.html
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