Information card for entry 1514765

Structure parameters

• Formula: C200 H256 Si8
• Calculated formula: C176 H200 Si8
• Title of publication: Bottom-up synthesis and structures of π-lengthened tubular macrocycles
• Authors of publication: Matsuno, Taisuke; Kamata, Sho; Hitosugi, Shunpei; Isobe, Hiroyuki
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 8
• Pages of publication: 3179
• a: 16.179 ± 0.007 Å
• b: 17.461 ± 0.008 Å
• c: 32.012 ± 0.015 Å
• α: 90°
• β: 95.835 ± 0.006°
• γ: 90°
• Cell volume: 8997 ± 7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1715
• Residual factor for significantly intense reflections: 0.1535
• Weighted residual factors for significantly intense reflections: 0.4279
• Weighted residual factors for all reflections included in the refinement: 0.4429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No