Information card for entry 7231585

Structure parameters

• Formula: C57.65 H55.4 Cl3.8 N3 O13.75
• Calculated formula: C57.65 H55.4 Cl3.8 N3 O13.75
• Title of publication: Recognition and optical sensing of amines by a quartz-bound 7-chloro-4-quinolylazopillar[5]arene monolayer
• Authors of publication: Pisagatti, Ilenia; Gattuso, Giuseppe; Notti, Anna; Parisi, Melchiorre F.; Brancatelli, Giovanna; Geremia, Silvano; Greco, Francesco; Millesi, Salvatrice; Pappalardo, Andrea; Spitaleri, Luca; Gulino, Antonino
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 58
• Pages of publication: 33269
• a: 12.576 ± 0.002 Å
• b: 33.286 ± 0.001 Å
• c: 14.585 ± 0.002 Å
• α: 90°
• β: 95.981 ± 0.003°
• γ: 90°
• Cell volume: 6072.1 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1096
• Residual factor for significantly intense reflections: 0.1059
• Weighted residual factors for significantly intense reflections: 0.2726
• Weighted residual factors for all reflections included in the refinement: 0.2763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.8 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No