Information card for entry 7119858

Structure parameters

• Formula: C27 H25 B F2 N2 O2
• Calculated formula: C27 H25 B F2 N2 O2
• SMILES: F[B]1(F)OC(=CC(=[O]1)c1[nH]c(c(c1C)c1ccccc1)C)c1[nH]c(c(c2ccccc2)c1C)C
• Title of publication: Dimension-controlled assemblies of anion-responsive π-electronic systems bearing aryl substituents with fan-shaped geometries.
• Authors of publication: Lakshmi, Vellanki; Haketa, Yohei; Yamakado, Ryohei; Yasuda, Nobuhiro; Maeda, Hiromitsu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 27
• Pages of publication: 3834 - 3837
• a: 8.153 ± 0.0019 Å
• b: 17.336 ± 0.003 Å
• c: 17.063 ± 0.005 Å
• α: 90°
• β: 103.317 ± 0.001°
• γ: 90°
• Cell volume: 2346.8 ± 1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No