Information card for entry 7126851

Structure parameters

• Formula: C28 H16 N2 O4
• Calculated formula: C28 H16 N2 O4
• Title of publication: Control by one drop of solvent: selective preparation of guest release/trap-triggered interconvertible molecular crystals.
• Authors of publication: Yakiyama, Yumi; Fujinaka, Takahisa; Nishimura, Mio; Seki, Ryotaro; Sakurai, Hidehiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 67
• Pages of publication: 9687 - 9690
• a: 15.926 ± 0.002 Å
• b: 15.926 ± 0.002 Å
• c: 15.926 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4039.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No