Information card for entry 1560270

Structure parameters

• Chemical name: Benzyltrimethylammonium Chloride complex with rac-1,1'-Bi-2-naphthol
• Formula: C30 H30 Cl N O2
• Calculated formula: C30 H30 Cl N O2
• SMILES: [Cl-].Oc1c(c2c3c(ccc2O)cccc3)c2ccccc2cc1.[N+](C)(Cc1ccccc1)(C)C
• Title of publication: Crystal Structure of a Benzyltrimethylammonium Chloride Complex with <i>rac</i>-1,1′-Bi-2-naphthol: The Generation of Weak Interactions by the Influence of a Benzyl Group
• 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: 1 - 2
• a: 9.9157 ± 0.0001 Å
• b: 10.1069 ± 0.0001 Å
• c: 13.5253 ± 0.0002 Å
• α: 78.6034 ± 0.0005°
• β: 69.679 ± 0.0005°
• γ: 89.5945 ± 0.0005°
• Cell volume: 1243.24 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0427
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No