Information card for entry 7054952

Structure parameters

• Formula: C74 H108 N12 O6
• Calculated formula: C74 H107 N12 O6
• Title of publication: Efficient synthesis of lower rim α-hydrazino tetrazolocalix[4]arenes via an Ugi-azide multicomponent reaction
• Authors of publication: Alavijeh, Nahid S.; Zadmard, Reza; Ramezanpour, Sorour; Balalaie, Saeed; Alavijeh, Mohammad S.; Rominger, Frank
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 6578
• a: 15.0078 ± 0.0008 Å
• b: 15.5458 ± 0.0008 Å
• c: 18.4958 ± 0.001 Å
• α: 99.5345 ± 0.0015°
• β: 101.192 ± 0.0016°
• γ: 113.02 ± 0.0014°
• Cell volume: 3754.1 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1261
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2548
• Weighted residual factors for all reflections included in the refinement: 0.2872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No