Information card for entry 7152582

Structure parameters

• Formula: C20 H22 O3 Si2
• Calculated formula: C20 H22 O3 Si2
• SMILES: [Si]1(O[Si](C)(C)c2c1cc(cc2)C#Cc1ccc(cc1)C(=O)OC)(C)C
• 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: 60.024 ± 0.005 Å
• b: 11.4478 ± 0.0008 Å
• c: 8.7407 ± 0.0006 Å
• α: 90°
• β: 95.534 ± 0.004°
• γ: 90°
• Cell volume: 5978.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No