Information card for entry 7126842

Structure parameters

• Formula: C14.46 H8.9 Cl0.46 N O2
• Calculated formula: C14.464 H8 Cl0.464 N O2
• 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: 15.442 ± 0.003 Å
• b: 18.01 ± 0.004 Å
• c: 8.5151 ± 0.0017 Å
• α: 90°
• β: 97.36 ± 0.03°
• γ: 90°
• Cell volume: 2348.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0664
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1915
• Weighted residual factors for all reflections included in the refinement: 0.1964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No