Information card for entry 1566844

Structure parameters

• Formula: C16 H11 N O2
• Calculated formula: C16 H10 N O2
• Title of publication: Catalytic electron drives host–guest recognition
• Authors of publication: Owatari, Yoshihiro; Iseki, Shuta; Ogata, Daiji; Yuasa, Junpei
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 14.732 ± 0.009 Å
• b: 10.702 ± 0.007 Å
• c: 7.661 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1207.8 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No