Information card for entry 7127591

Structure parameters

• Formula: C17 H17 B Cl F N2 O2
• Calculated formula: C17 H17 B Cl F N2 O2
• SMILES: Clc1cc2O[B]3(F)Oc4cc(N(CC)CC)ccc4C=[N]3c2cc1
• Title of publication: Facile strategy for obtaining luminescent polymorphs based on the chirality of a boron-fused azomethine complex.
• Authors of publication: Ohtani, Shunsuke; Takeda, Yusuke; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 97
• Pages of publication: 15305 - 15308
• a: 12.8397 ± 0.0012 Å
• b: 12.8397 ± 0.0012 Å
• c: 8.5551 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1221.4 ± 0.2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 7
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No