Information card for entry 1576710

Structure parameters

• Formula: C54 H67 Cl2 N3 Si2
• Calculated formula: C54 H67 Cl2 N3 Si2
• 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: 10.5011 ± 0.0004 Å
• b: 36.2781 ± 0.0014 Å
• c: 13.3571 ± 0.0004 Å
• α: 90°
• β: 91.845 ± 0.001°
• γ: 90°
• Cell volume: 5085.9 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0436
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No