Information card for entry 1506311

Structure parameters

• Formula: C105.5 H143 N8 O8.5
• Calculated formula: C105.5 H124 N8 O8.5
• Title of publication: Regioselectively N-methylated azacalix[8]arene octamethyl ether prepared by catalytic aryl amination reaction using a temporal N-silylation protocol.
• Authors of publication: Ishibashi, Koichi; Tsue, Hirohito; Tokita, Satoshi; Matsui, Kazuhiro; Takahashi, Hiroki; Tamura, Rui
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 26
• Pages of publication: 5991 - 5994
• a: 24.468 ± 0.002 Å
• b: 24.214 ± 0.003 Å
• c: 19.3043 ± 0.0019 Å
• α: 90°
• β: 102.267 ± 0.007°
• γ: 90°
• Cell volume: 11176 ± 2 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.3856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No