Information card for entry 1553664

Structure parameters

• Formula: C19 H15 B F2 N2
• Calculated formula: C19 H15 B F2 N2
• SMILES: F[B]1(F)N(c2ccccc2)C(=Cc2[n]1cccc2)c1ccccc1
• Title of publication: Control of aggregation-induced emission versus fluorescence aggregation-caused quenching by bond existence at a single site in boron pyridinoiminate complexes
• Authors of publication: Yamaguchi, Madoka; Ito, Shunichiro; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 1
• Journal issue: 8
• Pages of publication: 1573
• a: 6.418 ± 0.003 Å
• b: 8.632 ± 0.004 Å
• c: 14.198 ± 0.006 Å
• α: 74.951 ± 0.006°
• β: 81.658 ± 0.007°
• γ: 86.211 ± 0.007°
• Cell volume: 751.2 ± 0.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No