Information card for entry 7133721

Structure parameters

• Formula: C30 H36 N2 O7
• Calculated formula: C30 H36 N2 O7
• Title of publication: Cubane-1,3-dicarboxamides as structural isosteres for isophthalamides in hydrogen bond templated interlocked molecules
• Authors of publication: Barlow, Sean Richard; Halcovitch, Nathan Ross; Akien, Geoffrey; Coote, Susannah Clare; Evans, Nicholas Henley
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 52.946 ± 0.003 Å
• b: 10.4697 ± 0.0006 Å
• c: 9.7763 ± 0.0005 Å
• α: 90°
• β: 95.237 ± 0.005°
• γ: 90°
• Cell volume: 5396.7 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1239
• Residual factor for significantly intense reflections: 0.1099
• Weighted residual factors for significantly intense reflections: 0.3276
• Weighted residual factors for all reflections included in the refinement: 0.3505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.529
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No