Information card for entry 7225813

Structure parameters

• Formula: C25 H24 Cl N O
• Calculated formula: C25 H24 Cl N O
• SMILES: [Cl-].[nH+]1c(cccc1)C.OC(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 8.8297 ± 0.0018 Å
• b: 9.1147 ± 0.0018 Å
• c: 14.282 ± 0.003 Å
• α: 91.02 ± 0.03°
• β: 99.85 ± 0.03°
• γ: 115.48 ± 0.03°
• Cell volume: 1016.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No