Information card for entry 7242390

Structure parameters

• Formula: C27 H32 N4 O4 S2
• Calculated formula: C27 H32 N4 O4 S2
• 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: 30.948 ± 0.004 Å
• b: 6.6912 ± 0.0008 Å
• c: 30.949 ± 0.004 Å
• α: 90°
• β: 119.496 ± 0.004°
• γ: 90°
• Cell volume: 5578.2 ± 1.2 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No