Information card for entry 7051145

Structure parameters

• Formula: C99 H88 Ag4 F12 O13 S4
• Calculated formula: C99 H88 Ag4 F12 O13 S4
• Title of publication: Synthesis and X-ray structures of new concave π-prismand hydrocarbon [2.2.1]m,p,p- and [2.2.1]p,p,p-cyclophanes
• Authors of publication: Lahtinen, Tanja; Wegelius, Elina; Rissanen, Kari
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 905
• a: 10.8557 ± 0.0003 Å
• b: 55.1676 ± 0.0018 Å
• c: 15.8584 ± 0.0004 Å
• α: 90°
• β: 90.312 ± 0.0012°
• γ: 90°
• Cell volume: 9497.2 ± 0.5 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No