Information card for entry 7225817

Structure parameters

• Formula: C25 H24 Cl N O
• Calculated formula: C25 H24 Cl N O
• SMILES: [Cl-].OC(c1ccccc1)(c1ccccc1)c1ccccc1.[nH+]1ccc(cc1)C
• Title of publication: Synergism in host‒guest selectivity of picolinium chlorides by triphenylsilanol and triphenylmethanol
• Authors of publication: Batisai, Eustina; Su, Hong; Nassimbeni, Luigi R.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 31
• Pages of publication: 5952
• a: 14.078 ± 0.003 Å
• b: 9.2242 ± 0.0018 Å
• c: 16.232 ± 0.003 Å
• α: 90°
• β: 96.74 ± 0.03°
• γ: 90°
• Cell volume: 2093.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0665
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No