Information card for entry 4331924

Structure parameters

• Formula: C27 H18 B N O2
• Calculated formula: C27 H18 B N O2
• SMILES: [B]12(Oc3c(c4[n]2c(c2c(O1)cccc2)ccc4)cccc3)c1cccc2ccccc12
• Title of publication: Synthesis, Structures, and Luminescent Properties of Phenol−Pyridyl Boron Complexes
• Authors of publication: Zhang, Hongyu; Huo, Cheng; Ye, Kaiqi; Zhang, Peng; Tian, Wenjing; Wang, Yue
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 2788 - 2794
• a: 15.033 ± 0.003 Å
• b: 27.353 ± 0.006 Å
• c: 10.26 ± 0.002 Å
• α: 90°
• β: 108.5 ± 0.03°
• γ: 90°
• Cell volume: 4000.9 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1865
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 0.715
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No