Information card for entry 7216936

Structure parameters

• Formula: C78.5 H66 O8.5
• Calculated formula: C78.5 H66 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: 12.804 ± 0.001 Å
• b: 10.892 ± 0.006 Å
• c: 21.865 Å
• α: 90 ± 0.03°
• β: 90.47°
• γ: 90°
• Cell volume: 3049.2 ± 1.7 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 3
• 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: 0.1123
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections: 0.285
• Weighted residual factors for significantly intense reflections: 0.2505
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.7114 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No