Information card for entry 7152137

Structure parameters

• Formula: C87 H111 Br2 Cl9 N4 O9
• Calculated formula: C87 H96.3 Br2 Cl9 N4 O8
• Title of publication: Resorcin[4]arene-derived mono-, bis- and tetra-imidazolium salts as ligand precursors for Suzuki-Miyaura cross-coupling.
• Authors of publication: El Moll, Hani; Sémeril, David; Matt, Dominique; Toupet, Loïc; Harrowfield, Jean-Jacques
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 2
• Pages of publication: 372 - 382
• a: 15.9979 ± 0.0003 Å
• b: 29.8312 ± 0.0005 Å
• c: 20.5629 ± 0.0005 Å
• α: 90°
• β: 105.044 ± 0.003°
• γ: 90°
• Cell volume: 9477 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2379
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.2681
• Weighted residual factors for all reflections included in the refinement: 0.3073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No