Information card for entry 7224507

Structure parameters

• Formula: C26 H19 B N2 O2
• Calculated formula: C26 H19 B N2 O2
• SMILES: c1(ccccc1)[B]1(c2ccccc2)[n]2c(c3ccccc3O1)oc(c1ccccc1)n2
• Title of publication: Synthesis and optoelectronic properties of oxadiazole coordinated boron complexes
• Authors of publication: Deng, Ruiping; Li, Leijiao; Song, Mingxing; Zhao, Shuna; Zhou, Liang; Yao, Shuang
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 4382
• a: 9.261 ± 0.003 Å
• b: 10.162 ± 0.003 Å
• c: 21.929 ± 0.007 Å
• α: 90°
• β: 95.901 ± 0.007°
• γ: 90°
• Cell volume: 2052.8 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.1326
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.2018
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No