Information card for entry 7113452

Structure parameters

• Formula: C40 H56 O8 Si4
• Calculated formula: C40 H56 O8 Si4
• SMILES: c1(c2cc(cc1[Si](C)(C)c1c(c(cc(c1)OC)[Si](C)(C)c1c(c(cc(c1)OC)[Si](C)(C)c1c(c(cc(c1)OC)[Si]2(C)C)OC)OC)OC)OC)OC
• Title of publication: Preparation and structures of novel silamacrocyclic compounds: silacalix[4]quinone and silacalix[4]hydroquinone octamethyl ether
• Authors of publication: Tsutsui, Shinobu; Sakamoto, Kenkichi
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 18
• Pages of publication: 2322 - 2323
• a: 11.569 ± 0.011 Å
• b: 16.408 ± 0.016 Å
• c: 23.63 ± 0.02 Å
• α: 90°
• β: 103.093 ± 0.017°
• γ: 90°
• Cell volume: 4369 ± 7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 0.821
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104803
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No