Information card for entry 1553665

Structure parameters

• Formula: C19 H13 B F2 N2
• Calculated formula: C19 H13 B F2 N2
• SMILES: F[B]1(F)[n]2c(C=c3n1c1c(c4c3cccc4)cccc1)cccc2
• 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: 9.2376 ± 0.0008 Å
• b: 11.5433 ± 0.0011 Å
• c: 13.4497 ± 0.0011 Å
• α: 90°
• β: 98.264 ± 0.007°
• γ: 90°
• Cell volume: 1419.3 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0627
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No