Information card for entry 7251459

Structure parameters

• Formula: C102 H120 Br4 O12
• Calculated formula: C102 H120 Br4 O12
• Title of publication: Influence of crystallization solvents on the crystal structures and supramolecular assemblies of a [2]naphthyl-extended pillar[6]arene
• Authors of publication: Almoaeen, Randa Abd; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 1331 - 1338
• a: 38.7491 ± 0.0009 Å
• b: 10.4816 ± 0.0002 Å
• c: 23.9295 ± 0.0005 Å
• α: 90°
• β: 107.054 ± 0.001°
• γ: 90°
• Cell volume: 9291.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0621
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No