Information card for entry 1576711

Structure parameters

• Formula: C37 H35 Cl3 N4 O
• Calculated formula: C37 H35 Cl3 N4 O
• Title of publication: Cucurbit[7]uril as a universal anchor for photoswitchable monolayers on gold.
• Authors of publication: Lončarić, Doroteja; Kaletová, Eva; Varga, Katarina Majerová; Hurtado, Carina Santos; Mašát, Milan; Císařová, Ivana; Kaleta, Jiří
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 3991 - 3997
• a: 12.2842 ± 0.0004 Å
• b: 16.8227 ± 0.0005 Å
• c: 34.6745 ± 0.001 Å
• α: 77.137 ± 0.002°
• β: 82.673 ± 0.002°
• γ: 74.771 ± 0.002°
• Cell volume: 6722.3 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1947
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No