Information card for entry 7216935

Structure parameters

• Formula: C77.5 H66 N O8.5
• Calculated formula: C77.5 H66 N O8.5
• Title of publication: 4,4′-(Fluorene-9,9-diyl)diphenol: a new versatile building block for clathrate type and macrocyclic host‒guest inclusion
• Authors of publication: Apel, Sylke; Nitsche, Silke; Beketov, Kayrat; Seichter, Wilhelm; Seidel, J.; Weber, Edwin
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2001
• Journal issue: 7
• Pages of publication: 1212
• a: 12.815 ± 0.003 Å
• b: 10.963 ± 0.003 Å
• c: 21.673 ± 0.004 Å
• α: 90°
• β: 90.14 ± 0.02°
• γ: 90°
• Cell volume: 3044.8 ± 1.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• 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: 0.2204
• Residual factor for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections: 0.3999
• Weighted residual factors for significantly intense reflections: 0.3045
• Goodness-of-fit parameter for all reflections: 1.071
• Goodness-of-fit parameter for significantly intense reflections: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No