Information card for entry 7126839

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: 15.938 ± 0.0008 Å
• b: 15.938 ± 0.0008 Å
• c: 15.9529 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4052.4 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 150 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: 0.0429
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No