Information card for entry 7222250

Structure parameters

• Common name: (1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene).2(3,4-Lutidine)
• Formula: C58 H44 N2 O2
• Calculated formula: C58 H44 N2 O2
• SMILES: c1cc2c(c3c(cccc3)C2(C#Cc2c3ccccc3c(C#CC3(c4ccccc4c4ccccc34)O)c3c2cccc3)O)cc1.c1ncc(c(c1)C)C.c1cc(c(cn1)C)C
• Title of publication: Separation of lutidines by enclathration
• Authors of publication: Samipillai, Marivel; Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 43
• Pages of publication: 8332
• a: 9.78 ± 0.002 Å
• b: 11.388 ± 0.002 Å
• c: 11.566 ± 0.002 Å
• α: 115.12 ± 0.03°
• β: 101.58 ± 0.03°
• γ: 104.11 ± 0.03°
• Cell volume: 1061.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No