Information card for entry 7222248

Structure parameters

• Common name: (1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene).2(2,3-Luditine)
• Formula: C58 H44 N2 O2
• Calculated formula: C58 H44 N2 O2
• SMILES: c1cccc2c1C(C#Cc1c3ccccc3c(C#CC3(c4ccccc4c4ccccc34)O)c3ccccc13)(O)c1c2cccc1.c1(c(cccn1)C)C.c1(c(cccn1)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: 11.8675 ± 0.0004 Å
• b: 15.6072 ± 0.0004 Å
• c: 12.2828 ± 0.0004 Å
• α: 90°
• β: 112.86 ± 0.001°
• γ: 90°
• Cell volume: 2096.32 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0818
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No