Information card for entry 7150753

Structure parameters

• Common name: Tetrakis(4-azidophenyl)methane
• Chemical name: Tetrakis(4-azidophenyl)methane
• Formula: C25 H16 N12
• Calculated formula: C25 H16 N12
• SMILES: C(c1ccc(cc1)N=N#N)(c1ccc(cc1)N=N#N)(c1ccc(cc1)N=N#N)c1ccc(cc1)N=N#N
• 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: 18.728 ± 0.001 Å
• b: 7.137 ± 0.001 Å
• c: 18.265 ± 0.001 Å
• α: 90°
• β: 111.37 ± 0.01°
• γ: 90°
• Cell volume: 2273.5 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• 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: 0.0935
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No