Information card for entry 7129881

Structure parameters

• Common name: BiCz-1
• Chemical name: BiCz-1
• Formula: C61 H73 Cl3 N2
• Calculated formula: C61 H73 Cl3 N2
• SMILES: ClC(Cl)Cl.n1(c2ccc(cc2)C(C)(C)C)c2c(c3c1c(cc(c3)C(C)(C)C)c1cc(cc3c4cc(ccc4n(c4ccc(cc4)C(C)(C)C)c13)C(C)(C)C)C(C)(C)C)cc(cc2)C(C)(C)C
• Title of publication: Axially chiral 1,1’-bicarbazolyls with near-ultraviolet circularly polarized luminescence
• Authors of publication: Shikita, So; Harada, Takunori; Yasuda, Takuma
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 24.6858 ± 0.0007 Å
• b: 14.8258 ± 0.0006 Å
• c: 30.0949 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11014.3 ± 0.6 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.2845
• Weighted residual factors for all reflections included in the refinement: 0.2999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No