Information card for entry 4024695

Structure parameters

• Formula: C37 H49 N7 O8
• Calculated formula: C37 H49 N7 O8
• Title of publication: Synthesis, Structure, and Reactions of NH-Bridged Calix[m]arene[n]pyridines
• Authors of publication: Bo Yao; De-Xian Wang; Han-Yuan Gong; Zhi-Tang Huang; Mei-Xiang Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 5361 - 5368
• a: 15.3 ± 0.002 Å
• b: 15.3 ± 0.002 Å
• c: 14.684 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3437.4 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No