Information card for entry 7125207

Structure parameters

• Chemical name: (E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid/(R)-1-phenylethan-1-amine/dioxane
• Formula: C24 H30 N4 O5 S
• Calculated formula: C24 H30 N4 O5 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: 6.06973 ± 0.00012 Å
• b: 23.5497 ± 0.0005 Å
• c: 9.2011 ± 0.0002 Å
• α: 90°
• β: 108.609 ± 0.0012°
• γ: 90°
• Cell volume: 1246.45 ± 0.05 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No