Information card for entry 7035088

Structure parameters

• Formula: C34 H30 B N3
• Calculated formula: C34 H30 B N3
• SMILES: [B]1(N(C(=NC(=[NH]1)c1ccccc1)c1ccc(cc1)C)c1ccc(cc1)C)(c1ccccc1)c1ccccc1
• Title of publication: Fluorescent benzene-centered mono-, bis- and tris-triazapentadiene-boron complexes.
• Authors of publication: Glotzbach, Christoph; Gödeke, Nadine; Fröhlich, Roland; Daniliuc, Constantin-Gabriel; Saito, Shohei; Yamaguchi, Shigehiro; Würthwein, Ernst-Ulrich
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 9659 - 9671
• a: 14.9147 ± 0.0006 Å
• b: 10.5759 ± 0.0004 Å
• c: 16.7417 ± 0.0008 Å
• α: 90°
• β: 90.479 ± 0.002°
• γ: 90°
• Cell volume: 2640.68 ± 0.19 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No