Information card for entry 1563938

Structure parameters

• Chemical name: tetrabutylammonium chloride complex with rac-1,1'-bi-2-naphthol
• Formula: C36 H50 Cl N O2
• Calculated formula: C36 H50 Cl N O2
• SMILES: [Cl-].Oc1ccc2c(c1c1c(O)ccc3c1cccc3)cccc2.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Crystal Structure of Tetrabutylammonium Chloride Complex with <i>Rac</i>-1,1′-bi-2-naphthol: The Inclusion of Surfactant Molecules by Hydrogen Bonded Binaphthol Molecules
• Authors of publication: MARFO-OWUSU, Emmanuel; THOMPSON, Amber L.
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2021
• Journal volume: 37
• Journal issue: 0
• Pages of publication: 27 - 28
• a: 10.4941 ± 0.0001 Å
• b: 26.3302 ± 0.0003 Å
• c: 11.529 ± 0.0001 Å
• α: 90°
• β: 100.015 ± 0.0005°
• γ: 90°
• Cell volume: 3137.05 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0675
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections: 0.1011
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9553
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No