Information card for entry 1566138

Structure parameters

• Formula: C55 H74 B4 O11 Si2
• Calculated formula: C55 H74 B4 O11 Si2
• SMILES: B(c1cccc2c(c3cccc(B(O)O)c3cc12)C#C[Si](C(C)C)(C(C)C)C(C)C)(O)O.O(CC)C(=O)OCC.B(c1cccc2c(c3cccc(B(O)O)c3cc12)C#C[Si](C(C)C)(C(C)C)C(C)C)(O)O
• Title of publication: 1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays
• Authors of publication: Forensi, Silvia; Stopin, Antoine; de Leo, Federica; Wouters, Johan; Bonifazi, Davide
• Journal of publication: Tetrahedron
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 51
• Pages of publication: 131299
• a: 36.788 ± 0.003 Å
• b: 9.326 ± 0.001 Å
• c: 17.102 ± 0.001 Å
• α: 90°
• β: 101.293 ± 0.009°
• γ: 90°
• Cell volume: 5753.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.2419
• Weighted residual factors for all reflections included in the refinement: 0.2665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No