Information card for entry 7123833

Structure parameters

• Formula: C78 H84 O6
• Calculated formula: C78 H84 O6
• Title of publication: 8,16,24,32,40,48-Hexamethoxy[2.6]metacyclophane-1,9,17,25,33,41-hexayne: a novel near-planar ammonium selective ionophore
• Authors of publication: Youichi Hosokawa; Takeshi Kawase; Masaji Oda
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal volume: 19
• Pages of publication: 1948 - 1949
• a: 23.604 ± 0.004 Å
• b: 23.604 ± 0.004 Å
• c: 10.803 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5213 ± 3 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No