Information card for entry 4122508

Structure parameters

• Common name: Partially Constrained Triarylborane Pyridine Adduct
• Formula: C35 H20 B N
• Calculated formula: C35 H20 B N
• SMILES: [B]12(c3cccc4cccc(c34)c3c1c1c(cc3)ccc3c1c1c2ccc2c1c3ccc2)[n]1ccccc1
• Title of publication: Photodissociation of B-N Lewis adducts: a partially fused trinaphthylborane with dual fluorescence.
• Authors of publication: Matsuo, Kyohei; Saito, Shohei; Yamaguchi, Shigehiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 36
• Pages of publication: 12580 - 12583
• a: 13.2491 ± 0.0002 Å
• b: 13.6484 ± 0.0003 Å
• c: 13.7598 ± 0.0003 Å
• α: 75.4215 ± 0.0007°
• β: 70.2656 ± 0.0007°
• γ: 75.5401 ± 0.0007°
• Cell volume: 2229.27 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No