Information card for entry 7237955

Structure parameters

• Formula: C45 H50 O10
• Calculated formula: C45 H50 O10
• Title of publication: Pillar[5]arenes: a new class of AIEgen macrocycles used for luminescence sensing of Fe3+ ions
• Authors of publication: Chen, Jin-Fa; Meng, Guoyun; Zhu, Qian; Zhang, Songhe; Chen, Pangkuan
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 38
• Pages of publication: 11747
• a: 14.9363 ± 0.001 Å
• b: 14.9363 ± 0.001 Å
• c: 39.332 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8774.7 ± 1.6 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1333
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.2291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No