Information card for entry 4123131

Structure parameters

• Formula: C22 H19 B F2 N2
• Calculated formula: C22 H19 B F2 N2
• SMILES: C1=C(C)N(c2ccccc2)[B](F)(F)[N](=C1c1ccccc1)c1ccccc1
• Title of publication: Functionalization of Boron Diiminates with Unique Optical Properties: Multicolor Tuning of Crystallization-Induced Emission and Introduction into the Main Chain of Conjugated Polymers.
• Authors of publication: Yoshii, Ryousuke; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141218122017004
• a: 8.1887 ± 0.0005 Å
• b: 10.9033 ± 0.0008 Å
• c: 40.705 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3634.3 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1168
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No