Information card for entry 7150752

Structure parameters

• Common name: 1,3,5,7-Tetrakis(4-(1-phenyl-1,2,3-triazol-4- yl)phenyl)adamantane
• Chemical name: 1,3,5,7-Tetrakis(4-(1-phenyl-1,2,3-triazol-4-yl)phenyl)adamantane
• Formula: C70 H56 Cl12 N12
• Calculated formula: C70 H56 Cl12 N12
• 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: 21.97 ± 0.003 Å
• b: 21.97 ± 0.003 Å
• c: 6.972 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3365.3 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 81
• Hermann-Mauguin space group symbol: P -4
• Hall space group symbol: P -4
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No