Information card for entry 7216937

Structure parameters

• Formula: C78 H80 O12 S4
• Calculated formula: C78 H80 O12 S4
• 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: 9.475 ± 0.002 Å
• b: 13.591 ± 0.002 Å
• c: 26.899 ± 0.004 Å
• α: 90°
• β: 100 ± 0.01°
• γ: 90°
• Cell volume: 3411.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1911
• Residual factor for significantly intense reflections: 0.126
• Weighted residual factors for all reflections: 0.3996
• Weighted residual factors for significantly intense reflections: 0.3329
• Goodness-of-fit parameter for all reflections: 1.023
• Goodness-of-fit parameter for significantly intense reflections: 1.18
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No