Information card for entry 7250124

Structure parameters

• Formula: C32 H28 O4
• Calculated formula: C32 H28 O4
• Title of publication: Tetraptycene derivatives: synthesis, structure and their self-assemblies in solid state
• Authors of publication: Yang, Bin-Bin; Wu, Si-Yuan; Zhang, Qing-Pu; Ma, Hui; Sun, Yu-Ling; Zhang, Chun
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 8293 - 8299
• a: 29.0799 ± 0.0002 Å
• b: 14.4055 ± 0.0001 Å
• c: 22.9347 ± 0.0002 Å
• α: 90°
• β: 92.971 ± 0.001°
• γ: 90°
• Cell volume: 9594.67 ± 0.13 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0457
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No