Information card for entry 8102248

Structure parameters

• Chemical name: 1^4^,1^6^,3^4^,3^6^,5^4^,5^6^,7^4^,7^6^-octakis(trimethylsilyloxy)- 1,3,5,7(1,3)tetrabenzenacyclooctaphane
• Formula: C52 H88 O8 Si8
• Calculated formula: C52 H88 O8 Si8
• SMILES: c1c2c(cc(c1Cc1cc(c(cc1O[Si](C)(C)C)O[Si](C)(C)C)Cc1cc(c(cc1O[Si](C)(C)C)O[Si](C)(C)C)Cc1cc(c(cc1O[Si](C)(C)C)O[Si](C)(C)C)C2)O[Si](C)(C)C)O[Si](C)(C)C
• Title of publication: Crystal structure of 14,16,34,36,54,56,74,76-octakis(trimethylsilyloxy)-1,3,5,7(1,3)tetrabenzenacyclooctaphane, C28H16[OSi(CH3)3]8
• Authors of publication: Osamu Morikawa; Misao Nakamura; Kazuhiro Kobayashi; Hisatoshi Konishi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 1
• Pages of publication: 95
• a: 18.2222 ± 0.0013 Å
• b: 12.956 ± 0.0009 Å
• c: 27.1992 ± 0.0013 Å
• α: 90 ± 0.001°
• β: 94.449 ± 0.003°
• γ: 90 ± 0.003°
• Cell volume: 6402 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No