Information card for entry 4077033

Structure parameters

• Common name: 5c
• Formula: C26 H21 B N2 O
• Calculated formula: C26 H21 B N2 O
• SMILES: [B]1([n]2ccccc2c2n1c1c(c2)cc(cc1)OC)(c1ccccc1)c1ccccc1
• Title of publication: Tuning the Luminescence and Electroluminescence of Diphenylboron Complexes of 5-Substituted 2-(2‘-Pyridyl)indoles
• Authors of publication: Liu, Qinde; Mudadu, Maria S.; Schmider, Hartmut; Thummel, Randolph; Tao, Ye; Wang, Suning
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 22
• Pages of publication: 4743
• a: 7.2396 ± 0.0014 Å
• b: 11.48 ± 0.002 Å
• c: 12.598 ± 0.003 Å
• α: 84.2 ± 0.004°
• β: 76.205 ± 0.004°
• γ: 78.795 ± 0.004°
• Cell volume: 995.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1439
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 0.744
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No