Information card for entry 8102002

Structure parameters

• Chemical name: 5,17-bis(N-tert-butylhydroxyamine)-25,26,27,28-tetrapropoxycalix[4]arene
• Formula: C48 H66 N2 O6
• Calculated formula: C48 H66 N2 O6
• Title of publication: Crystal structure of 5,17-bis(N-tert-butylhydroxy-amine)-25,26,27, 28-tetrapropoxycalix[4]arene, C~48~H~66~N~2~O~6~
• Authors of publication: Hu, X.-J.; Yang, H.-J.; Liu, J.-K.; Zhang, H.; Li, Y.; Luo, Y.-H.; Wang, R.-J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 329 - 331
• a: 14.636 ± 0.002 Å
• b: 16.807 ± 0.002 Å
• c: 19.131 ± 0.002 Å
• α: 90°
• β: 102.981 ± 0.001°
• γ: 90°
• Cell volume: 4585.7 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1329
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No