Information card for entry 8106063

Structure parameters

• Formula: C26 H28 Cl2 N2 O3
• Calculated formula: C26 H28 Cl2 N2 O3
• Title of publication: Crystal structure of 1-(4-((benzo[d][1,3]dioxol-5-yloxy)methyl)phenethyl)-4-(3-chlorophenyl) piperazin-1-ium chloride, C26H28Cl2N2O3
• Authors of publication: Chen, Hong; Jia, Hui-Xia; Xu, Qi-Tai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 1
• Pages of publication: 107 - 109
• a: 13.422 ± 0.003 Å
• b: 7.0011 ± 0.0014 Å
• c: 26.249 ± 0.005 Å
• α: 90°
• β: 101.06 ± 0.03°
• γ: 90°
• Cell volume: 2420.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No