Information card for entry 7216933

Structure parameters

• Formula: C27 H18 N O2
• Calculated formula: C27 H18 N O2
• SMILES: Oc1ccc(C2(c3ccccc3c3ccccc23)c2ccc(O)cc2)cc1.N#CC
• 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: 11.338 ± 0.003 Å
• b: 12.733 ± 0.003 Å
• c: 14.245 ± 0.003 Å
• α: 90 ± 0.03°
• β: 94.45 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 2050.3 ± 0.8 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0457
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections: 0.1097
• Weighted residual factors for significantly intense reflections: 0.1066
• Goodness-of-fit parameter for all reflections: 1.198
• Goodness-of-fit parameter for significantly intense reflections: 1.223
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No