Information card for entry 7239410

Structure parameters

• Formula: C52 H37 N O2
• Calculated formula: C52 H37 N O2
• Title of publication: Inclusion of picolines by a substituted binaphthyl diol host: selectivity and structure
• Authors of publication: Nassimbeni, Luigi R.; Marivel, Samipillai; Su, Hong; Weber, Edwin
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 48
• Pages of publication: 25758
• a: 9.9365 ± 0.0006 Å
• b: 20.7883 ± 0.0013 Å
• c: 18.8462 ± 0.0013 Å
• α: 90°
• β: 100.617 ± 0.002°
• γ: 90°
• Cell volume: 3826.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0806
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No