Information card for entry 7246507

Structure parameters

• Formula: C22 H19 F N2 O
• Calculated formula: C22 H19 F N2 O
• Title of publication: Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity
• Authors of publication: Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 15
• Pages of publication: 2175 - 2180
• a: 6.541 ± 0.0002 Å
• b: 7.1465 ± 0.0002 Å
• c: 37.8014 ± 0.001 Å
• α: 91.082 ± 0.0012°
• β: 94.097 ± 0.0012°
• γ: 90.1522 ± 0.0013°
• Cell volume: 1762.19 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0651
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No