Information card for entry 7129991

Structure parameters

• Formula: C17 H16 N2 O2
• Calculated formula: C17 H16 N2 O2
• Title of publication: Electrostatically-gated molecular rotors
• Authors of publication: Lin, Binzhou; Karki, Ishwor; Pellechia, Perry J.; Shimizu, Ken D.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 5.8248 ± 0.0004 Å
• b: 28.7309 ± 0.0017 Å
• c: 8.8878 ± 0.0005 Å
• α: 90°
• β: 106.165 ± 0.002°
• γ: 90°
• Cell volume: 1428.58 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No