Information card for entry 7131458

Structure parameters

• Formula: C20 H16 N2 O2
• Calculated formula: C20 H16 N2 O2
• Title of publication: Anion receptors with nitrone C-H hydrogen bond donors.
• Authors of publication: He, Xuxian; Thompson, Richard R.; Clawson, Sarah A.; Fronczek, Frank R.; Lee, Semin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 31
• Pages of publication: 4624 - 4627
• a: 5.3375 ± 0.0006 Å
• b: 5.3375 ± 0.0006 Å
• c: 52.802 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1504.3 ± 0.4 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No