Information card for entry 4077032

Structure parameters

• Common name: 5b
• Formula: C25 H18 B Cl N2
• Calculated formula: C25 H18 B Cl N2
• SMILES: [B]1([n]2ccccc2c2n1c1c(c2)cc(cc1)Cl)(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: 18.383 ± 0.005 Å
• b: 11.632 ± 0.003 Å
• c: 18.799 ± 0.005 Å
• α: 90°
• β: 98.814 ± 0.005°
• γ: 90°
• Cell volume: 3972.3 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.137
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No