Information card for entry 7126131

Structure parameters

• Formula: C44 H54 Cl2 N12 O2
• Calculated formula: C44 H54 Cl2 N12 O2
• Title of publication: 'Atypical Ugi' tetrazoles.
• Authors of publication: Abdelraheem, Eman M. M.; Goodwin, Imogen; Shaabani, Shabnam; de Haan, Michel P.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1799 - 1802
• a: 10.7643 ± 0.0006 Å
• b: 14.0058 ± 0.0006 Å
• c: 15.9242 ± 0.0008 Å
• α: 89.704 ± 0.004°
• β: 78.054 ± 0.004°
• γ: 67.659 ± 0.005°
• Cell volume: 2165.3 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No