Information card for entry 7152585

Structure parameters

• Formula: C13 H20 O2 Si2
• Calculated formula: C13 H20 O2 Si2
• SMILES: C[Si]1(C)c2c(ccc(c2)C(=O)O)[Si](C)(C)CC1
• 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: 12.8871 ± 0.0017 Å
• b: 8.8099 ± 0.0011 Å
• c: 14.4156 ± 0.0014 Å
• α: 90°
• β: 116.374 ± 0.012°
• γ: 90°
• Cell volume: 1466.3 ± 0.3 ų
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No