Information card for entry 1505445

Structure parameters

• Formula: C49 H54 Cl2 N6 O6
• Calculated formula: C49 H54 Cl2 N6 O6
• Title of publication: Formation and conformational conversion of flattened partial cone oxygen bridged calix[2]arene[2]triazines.
• Authors of publication: Wang, Qi-Qiang; Wang, De-Xian; Zheng, Qi-Yu; Wang, Mei-Xiang
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 15
• Pages of publication: 2847 - 2850
• a: 14.89 ± 0.003 Å
• b: 17.963 ± 0.004 Å
• c: 18.365 ± 0.004 Å
• α: 90°
• β: 91.79 ± 0.03°
• γ: 90°
• Cell volume: 4909.7 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1722
• Residual factor for significantly intense reflections: 0.1285
• Weighted residual factors for significantly intense reflections: 0.3186
• Weighted residual factors for all reflections included in the refinement: 0.3472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No