Information card for entry 7060751

Structure parameters

• Formula: C30 H43 B F2 N2 O3
• Calculated formula: C30 H43 B F2 N2 O3
• SMILES: [B]1(F)(F)[N](N=C(O1)c1ccc(OCCCCCCCC)cc1)=Cc1ccc(OCCCCCCCC)cc1
• Title of publication: Aggregation-induced emissions in the mesogenic BF2 complexes of aroylhydrazines
• Authors of publication: Cai, Yi-Hong; Chih, Hsin-Yun; Lee, Gene-Hsiang; Lai, Chung K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 28
• Pages of publication: 12557 - 12568
• a: 7.936 ± 0.0004 Å
• b: 13.5817 ± 0.0007 Å
• c: 14.9895 ± 0.0008 Å
• α: 67.7447 ± 0.0012°
• β: 79.9145 ± 0.0013°
• γ: 76.0472 ± 0.0012°
• Cell volume: 1444.83 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No