Information card for entry 7132661

Structure parameters

• Formula: C126 H102 N6 S6
• Calculated formula: C126 H102 N6 S6
• Title of publication: Phenothiazine cyclic hexamers: synthesis, properties, and complexation behavior with C₆₀.
• Authors of publication: Yamamoto, Koji; Tsutsui, Kanta; Tanuma, Miho; Ito, Kaname; Wakamatsu, Kan; Yamamoto, Koji; Nakamura, Yosuke
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 16
• Pages of publication: 2220 - 2223
• a: 33.06 ± 0.0002 Å
• b: 33.06 ± 0.0002 Å
• c: 33.06 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 36133.4 ± 0.4 ų
• Cell temperature: 130.15 K
• Ambient diffraction temperature: 130.15 K
• Number of distinct elements: 4
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1837
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No