Information card for entry 7115049

Structure parameters

• Formula: C48 H50 N4
• Calculated formula: C48 H50 N4
• SMILES: N(c1ccc(C(=C(C(=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccccc2)c2ccccc2)c2ccc(N(C)C)cc2)cc1)(C)C
• Title of publication: Dual-mode electrochromism switched by proton transfer: dynamic redox properties of bis(diarylmethylenium)-type dyes
• Authors of publication: Suzuki, Takanori; Higuchi, Hiroki; Ohkita, Masakazu; Tsuji, Takashi
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 17
• Pages of publication: 1574
• a: 14.612 ± 0.003 Å
• b: 16.076 ± 0.002 Å
• c: 17.1807 ± 0.0007 Å
• α: 90°
• β: 91.792 ± 0.001°
• γ: 90°
• Cell volume: 4033.8 ± 1 ų
• Cell temperature: 110.2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No