Information card for entry 7132576

Structure parameters

• Formula: C50.56 H53.12 N6 O4.28
• Calculated formula: C50.56 H53.12 N6 O4.28
• Title of publication: Synthesis of a macrocyclic oligomer of pyridylbenzoxazole utilizing dynamic covalent bonds and its unsymmetric conversion.
• Authors of publication: Hokimoto, Yuya; Nakamura, Takashi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 10
• Pages of publication: 1281 - 1284
• a: 18.9446 ± 0.0009 Å
• b: 18.9446 ± 0.0009 Å
• c: 22.0233 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6845.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.2006
• Weighted residual factors for all reflections included in the refinement: 0.216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.548
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No