Information card for entry 7125202

Structure parameters

• Chemical name: (E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid
• Formula: C12 H11 N3 O3 S
• Calculated formula: C12 H11 N3 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: 5.8245 ± 0.0003 Å
• b: 7.5038 ± 0.0004 Å
• c: 13.8162 ± 0.0004 Å
• α: 94.785 ± 0.003°
• β: 94.97 ± 0.003°
• γ: 95.755 ± 0.004°
• Cell volume: 595.96 ± 0.05 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No