Information card for entry 7207373

Structure parameters

• Formula: C25 H18 B N O S
• Calculated formula: C25 H18 B N O S
• SMILES: [B]1(c2ccccc2)(c2ccccc2)[n]2c(c3c(cccc3)O1)sc1ccccc21
• Title of publication: Construction of full-color-tunable and strongly emissive materials by functionalizing a boron-chelate four-ring-fused π-conjugated core
• Authors of publication: Li, Di; Zhang, Hongyu; Wang, Chenguang; Huang, Shuo; Guo, Jianhua; Wang, Yue
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 10
• Pages of publication: 4319
• a: 9.781 ± 0.002 Å
• b: 13.651 ± 0.003 Å
• c: 16.457 ± 0.005 Å
• α: 90°
• β: 114.07 ± 0.02°
• γ: 90°
• Cell volume: 2006.3 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No