Information card for entry 1560815

Structure parameters

• Formula: C33 H36 Br N O2
• Calculated formula: C33 H36 Br N O2
• SMILES: [Br-].Oc1ccc2ccccc2c1c1c(O)ccc2c1cccc2.[N+](CC)(CC)(CC)Cc1ccccc1
• Title of publication: The Crystal Structure of a Benzyltriethylammonium Bromide Complex with <i>rac</i>-1,1′-Binaphthalene-2,2′-diol: The Inclusion of an Arylammonium Salt by an Assembly of Binaphthol Groups
• 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: 7 - 8
• a: 10.8109 ± 0.0001 Å
• b: 10.3081 ± 0.0001 Å
• c: 25.2697 ± 0.0003 Å
• α: 90°
• β: 98.2242 ± 0.0003°
• γ: 90°
• Cell volume: 2787.09 ± 0.05 ų
• Cell temperature: 0 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: 0.0326
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for all reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No