Information card for entry 7134974

Structure parameters

• Formula: C93.62 H101.24 N2 O9.54
• Calculated formula: C92 H98 N2 O9
• Title of publication: Guest-triggered crystallization of π-conjugated pillar[5]arene: from amorphous aggregates to an ordered architecture <i>via</i> solid-state host-guest synergy.
• Authors of publication: Chen, Jin-Fa; Gao, Qing-Xiu; Wang, Yuxuan; Shi, Bingbing; Yao, Hong; Wei, Tai-Bao; Lin, Qi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 81
• Pages of publication: 15882 - 15885
• a: 43.0399 ± 0.0003 Å
• b: 24.2273 ± 0.0001 Å
• c: 61.0404 ± 0.0004 Å
• α: 90°
• β: 99.47 ± 0.001°
• γ: 90°
• Cell volume: 62781.9 ± 0.7 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0865
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No