Information card for entry 7125203

Structure parameters

• Chemical name: (E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid/(R)-1-(4-chlorophenyl)ethan-1-amine/N,N-dimethylformamide
• Formula: C23 H28 Cl N5 O4 S
• Calculated formula: C23 H28 Cl N5 O4 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: 5.94757 ± 0.00014 Å
• b: 9.5911 ± 0.0002 Å
• c: 11.4509 ± 0.0003 Å
• α: 83.8975 ± 0.0016°
• β: 82.015 ± 0.0015°
• γ: 71.9997 ± 0.0015°
• Cell volume: 613.81 ± 0.03 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.2281
• Weighted residual factors for all reflections included in the refinement: 0.2643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No