Information card for entry 7242388

Structure parameters

• Formula: C72 H102 F N7 O8 S4
• Calculated formula: C72 H102 F N7 O8 S4
• Title of publication: Carbazole sulfonamide-based macrocyclic receptors capable of selective complexation of fluoride ion
• Authors of publication: Luo, Na; Li, Junhong; Sun, Tao; Wan, Suran; Li, Peijia; Wu, Nan; Yan, Ya; Bao, Xiaoping
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 17
• Pages of publication: 10203 - 10211
• a: 16.404 ± 0.0017 Å
• b: 16.5999 ± 0.0019 Å
• c: 29.998 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8168.6 ± 1.7 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1309
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.2396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No