Information card for entry 7207374

Structure parameters

• Formula: C27 H23 B N2 O S
• Calculated formula: C27 H23 B N2 O S
• SMILES: s1c2[n](c3c1cccc3)[B](Oc1ccc(N(C)C)cc21)(c1ccccc1)c1ccccc1
• 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: 13.017 ± 0.003 Å
• b: 12.93 ± 0.003 Å
• c: 18.193 ± 0.006 Å
• α: 90°
• β: 132.518 ± 0.018°
• γ: 90°
• Cell volume: 2256.9 ± 1.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No