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Information card for entry 4066930
Preview
Coordinates | 4066930.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H28 O Si3 |
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Calculated formula | C15 H28 O Si3 |
SMILES | C[Si]1(C)c2c(cc(c(c2)C(C)O)C)[Si](C)(C)[Si]1(C)C |
Title of publication | 5,6-Disubstituted 1,2,3-Trisilaindanes as Silicon Analogues of Phantolide-Type Musk Odorants: Synthesis, Structure, Reactivity, and Olfactory Properties§ |
Authors of publication | Gluyas, Josef B. G.; Burschka, Christian; Kraft, Philip; Tacke, Reinhold |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 22 |
Pages of publication | 5897 |
a | 13.3164 ± 0.0013 Å |
b | 8.2981 ± 0.0008 Å |
c | 34.292 ± 0.003 Å |
α | 90° |
β | 93.436 ± 0.005° |
γ | 90° |
Cell volume | 3782.5 ± 0.6 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0399 |
Residual factor for significantly intense reflections | 0.0308 |
Weighted residual factors for significantly intense reflections | 0.078 |
Weighted residual factors for all reflections included in the refinement | 0.0836 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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