Information card for entry 8106064

Structure parameters

• Formula: C26 H26 F N3 O3 S
• Calculated formula: C26 H26 F N3 O3 S
• Title of publication: Crystal structure of 2-(4-(2-(4-(2-fluorophenyl)piperazin-1-yl)ethyl)benzyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide, C26H26FN3O3S – a saccharin dervative
• Authors of publication: Chen, Hong; Jia, Hui-Xia
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 1
• Pages of publication: 111 - 113
• a: 7.0252 ± 0.0014 Å
• b: 9.3017 ± 0.0019 Å
• c: 19.388 ± 0.004 Å
• α: 97.8 ± 0.03°
• β: 97.77 ± 0.03°
• γ: 106.84 ± 0.03°
• Cell volume: 1180.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No