Information card for entry 4308478

Structure parameters

• Formula: C25 H16 B N O S2
• Calculated formula: C25 H16 B N O S2
• SMILES: [B]1(Oc2cccc3ccc[n]1c23)(c1sc2c(c1)cccc2)c1sc2c(c1)cccc2
• Title of publication: Organoboron Compounds with an 8-Hydroxyquinolato Chelate and Its Derivatives: Substituent Effects on Structures and Luminescence
• Authors of publication: Yi Cui; Qin-De Liu; Dong-Ren Bai; Wen-Li Jia; Ye Tao; Suning Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 601 - 609
• a: 12.242 ± 0.004 Å
• b: 17.188 ± 0.006 Å
• c: 19.354 ± 0.007 Å
• α: 90°
• β: 91.748 ± 0.006°
• γ: 90°
• Cell volume: 4070 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1256
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No