Information card for entry 7151982

Structure parameters

• Common name: Cone-5d
• Formula: C63 H66 F9 N3 O9
• Calculated formula: C63 H66 F9 N3 O9
• Title of publication: Novel ion-pair receptors based on hexahomotrioxacalix[3]arene derivatives.
• Authors of publication: Ni, Xin-Long; Rahman, Shofuir; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 19
• Pages of publication: 6535 - 6541
• a: 16.3465 ± 0.0011 Å
• b: 23.3116 ± 0.0018 Å
• c: 17.2917 ± 0.0013 Å
• α: 90°
• β: 116.247 ± 0.007°
• γ: 90°
• Cell volume: 5909.9 ± 0.8 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No