Information card for entry 7020843

Structure parameters

• Common name: N-(dimesitylboryl)carbazole
• Chemical name: N-(dimesitylboryl)carbazole
• Formula: C30 H30 B N
• Calculated formula: C30 H30 B N
• SMILES: c12ccccc1c1c(cccc1)n2B(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: TICT fluorescence of N-borylated 2,5-diarylpyrroles: a gear like dual motion in the excited state.
• Authors of publication: Taniguchi, Takuhiro; Wang, Jian; Irle, Stephan; Yamaguchi, Shigehiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 3
• Pages of publication: 620 - 624
• a: 12.716 ± 0.003 Å
• b: 10.577 ± 0.002 Å
• c: 17.53 ± 0.004 Å
• α: 90°
• β: 90.626 ± 0.003°
• γ: 90°
• Cell volume: 2357.6 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No