Information card for entry 7113453

Structure parameters

• Formula: C88 H94 O16 Si8
• Calculated formula: C88 H94 O16 Si8
• 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: 24.866 ± 0.004 Å
• b: 13.099 ± 0.002 Å
• c: 16.06 ± 0.003 Å
• α: 90°
• β: 122.575 ± 0.003°
• γ: 90°
• Cell volume: 4408.1 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104804
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No