Information card for entry 1553575

Structure parameters

• Chemical name: azahelicene dimer
• Formula: C153.47 H187.47 Cl4.41 N2 Si8
• Calculated formula: C153.47 H187.479 Cl4.41 N2 Si8
• Title of publication: Synthesis of a figure-eight azahelicene dimer with high emission and CPL properties
• Authors of publication: Ushiyama, Ayako; Hiroto, Satoru; Yuasa, Junpei; Kawai, Tsuyoshi; Shinokubo, Hiroshi
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 664
• a: 21.2715 ± 0.0003 Å
• b: 21.2715 ± 0.0003 Å
• c: 64.3247 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29105.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.1947
• Residual factor for significantly intense reflections: 0.1475
• Weighted residual factors for significantly intense reflections: 0.3637
• Weighted residual factors for all reflections included in the refinement: 0.4128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No