Information card for entry 7121695

Structure parameters

• Formula: C28 H20 B2 N2 S2
• Calculated formula: C28 H20 B2 N2 S2
• Title of publication: Synthesis, characterization and properties of aryl-fused bis-BN dihydropyrenes.
• Authors of publication: Zhang, Jinyun; Liu, Fude; Sun, Zhe; Li, Chenglong; Zhang, Qian; Zhang, Chen; Liu, Zhiqiang; Liu, Xuguang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 59
• Pages of publication: 8178 - 8181
• a: 12.195 ± 0.004 Å
• b: 12.807 ± 0.005 Å
• c: 30.751 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4803 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.3509
• Residual factor for significantly intense reflections: 0.1251
• Weighted residual factors for significantly intense reflections: 0.2319
• Weighted residual factors for all reflections included in the refinement: 0.3282
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No