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Information card for entry 4115974
Preview
Coordinates | 4115974.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H42 O Si6 |
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Calculated formula | C18 H42 O Si6 |
SMILES | [Si]12(O[Si](C)(C(=C1[Si](C)(C)C)[Si](C)(C)C)C(=C2[Si](C)(C)C)[Si](C)(C)C)C |
Title of publication | 1,4-Disila(Dewar-benzene) and 1,4-Disilabenzene: Valence Isomerization of Bis(alkylsilacyclopropenyl)s |
Authors of publication | Yoshio Kabe; Kenichi Ohkubo; Hitomi Ishikawa; Wataru Ando |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2000 |
Journal volume | 122 |
Pages of publication | 3775 - 3776 |
a | 10.1856 ± 0.001 Å |
b | 12.0125 ± 0.0008 Å |
c | 13.0143 ± 0.001 Å |
α | 103.671 ± 0.006° |
β | 92.809 ± 0.007° |
γ | 111.622 ± 0.007° |
Cell volume | 1422 ± 0.2 Å3 |
Cell temperature | 296.2 K |
Ambient diffraction temperature | 296.2 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 | 0.0567 |
Residual factor for significantly intense reflections | 0.057 |
Weighted residual factors for all reflections | 0.064 |
Weighted residual factors for all reflections included in the refinement | 0.064 |
Goodness-of-fit parameter for all reflections | 3.282 |
Goodness-of-fit parameter for all reflections included in the refinement | 3.28 |
Diffraction radiation wavelength | 0.7107 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/4115974.html
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Users of the data should acknowledge the original authors of the
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