Information card for entry 7222254

Structure parameters

• Common name: (1,4-bis(2?-bis(2?-(9-Hyrdoxy-9-fluorenyl)ethynyl)benzene).2(2,3-Lutidine)
• Formula: C50 H40 N2 O2
• Calculated formula: C50 H40 N2 O2
• SMILES: c1cccc2c3c(cccc3)C(c12)(C#Cc1ccc(C#CC2(c3c(c4ccccc24)cccc3)O)cc1)O.c1(C)ncccc1C.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: 7.745 ± 0.0004 Å
• b: 10.1392 ± 0.0004 Å
• c: 12.8039 ± 0.0006 Å
• α: 87.03 ± 0.002°
• β: 74.328 ± 0.002°
• γ: 74.741 ± 0.002°
• Cell volume: 933.76 ± 0.08 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: 0.0683
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No