Information card for entry 7250126

Structure parameters

• Formula: C31 H32 O8
• Calculated formula: C31 H32 O8
• 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: 26.1553 ± 0.0002 Å
• b: 11.0118 ± 0.0001 Å
• c: 8.9646 ± 0.0001 Å
• α: 90°
• β: 91.581 ± 0.001°
• γ: 90°
• Cell volume: 2580.97 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.0431
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No