Information card for entry 7125210

Structure parameters

• Chemical name: (E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid/(R)-1-(4-chlorophenyl)ethan-1-amine
• Formula: C20 H21 Cl N4 O3 S
• Calculated formula: C20 H21 Cl N4 O3 S
• Title of publication: Hierarchical construction of SHG-active polar crystals by using multi-component crystals.
• Authors of publication: Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 94
• Pages of publication: 13710 - 13713
• a: 7.3493 ± 0.0002 Å
• b: 6.04446 ± 0.00019 Å
• c: 23.3114 ± 0.0006 Å
• α: 90°
• β: 94.695 ± 0.0017°
• γ: 90°
• Cell volume: 1032.08 ± 0.05 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No