Information card for entry 7150751

Structure parameters

• Common name: Tetrakis(4-(4-phenyl-1,2,3-triazol-1-yl)phenyl)methane
• Chemical name: Tetrakis(4-(4-phenyl-1,2,3-triazol-1-yl)phenyl)methane
• Formula: C63 H54 N14 O2
• Calculated formula: C63 H54 N14 O2
• SMILES: C(c1ccc(cc1)n1nnc(c1)c1ccccc1)(c1ccc(n2nnc(c2)c2ccccc2)cc1)(c1ccc(cc1)n1nnc(c1)c1ccccc1)c1ccc(cc1)n1nnc(c1)c1ccccc1.C(=O)N(C)C.C(=O)N(C)C
• Title of publication: Four-fold click reactions: Generation of tetrahedral methane- and adamantane-based building blocks for higher-order molecular assemblies
• Authors of publication: Plietzsch, Oliver; Schilling, Christine Inge; Tolev, Mariyan; Nieger, Martin; Richert, Clemens; Muller, Thierry; Bräse, Stefan
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 22
• Pages of publication: 4734 - 4743
• a: 29.701 ± 0.006 Å
• b: 8.996 ± 0.002 Å
• c: 20.844 ± 0.004 Å
• α: 90°
• β: 109.53 ± 0.02°
• γ: 90°
• Cell volume: 5249 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.1413
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.197
• Weighted residual factors for all reflections included in the refinement: 0.2309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No