Information card for entry 7237884

Structure parameters

• Formula: C46 H48 N4 O8 S2
• Calculated formula: C46 H48 N4 O8 S2
• Title of publication: Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes
• Authors of publication: Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 29
• Pages of publication: 8847
• a: 16.5791 ± 0.0007 Å
• b: 7.7313 ± 0.0003 Å
• c: 17.2465 ± 0.0008 Å
• α: 90°
• β: 99.073 ± 0.004°
• γ: 90°
• Cell volume: 2182.96 ± 0.16 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No