Information card for entry 7020844

Structure parameters

• Common name: N-(dimesitylboryl)-2,5-di(2-thienyl)pyrrole
• Chemical name: N-(dimesitylboryl)-2,5-di(2-thienyl)pyrrole
• Formula: C30 H30 B N S2
• Calculated formula: C30 H30 B N S2
• 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: 8.49 ± 0.03 Å
• b: 12.61 ± 0.04 Å
• c: 12.72 ± 0.06 Å
• α: 105.34 ± 0.09°
• β: 91.55 ± 0.08°
• γ: 102.24 ± 0.08°
• Cell volume: 1278 ± 9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.2078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No