Information card for entry 7126849

Structure parameters

• Formula: C14.86 H8 N O2.21
• Calculated formula: C14.8603 H8 N O2.211
• 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: 15.5901 ± 0.0003 Å
• b: 18.1053 ± 0.0004 Å
• c: 8.5158 ± 0.0002 Å
• α: 90°
• β: 97.025 ± 0.002°
• γ: 90°
• Cell volume: 2385.65 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No