Information card for entry 7152586

Structure parameters

• Formula: C12 H18 O2 Si2
• Calculated formula: C12 H18 O2 Si2
• SMILES: C[Si]1(C)C[Si](C)(C)c2c1cc(cc2)C(=O)O
• Title of publication: Disila-analogues of the synthetic retinoids EC23 and TTNN: synthesis, structure and biological evaluation.
• Authors of publication: Gluyas, Josef B. G.; Burschka, Christian; Dörrich, Steffen; Vallet, Judith; Gronemeyer, Hinrich; Tacke, Reinhold
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 34
• Pages of publication: 6914 - 6929
• a: 17.973 ± 0.004 Å
• b: 5.5806 ± 0.0008 Å
• c: 27.605 ± 0.006 Å
• α: 90°
• β: 90.75 ± 0.03°
• γ: 90°
• Cell volume: 2768.5 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0417
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No