Information card for entry 7132579

Structure parameters

• Formula: C106 H110 Cl18 F6 N12 O20 S2 Zn
• Calculated formula: C106 H106 Cl18 F6 N12 O20 S2 Zn
• 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: 16.0885 ± 0.0005 Å
• b: 20.1668 ± 0.0006 Å
• c: 21.6212 ± 0.0007 Å
• α: 103.611 ± 0.002°
• β: 101.577 ± 0.002°
• γ: 109.328 ± 0.002°
• Cell volume: 6129.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.135
• Residual factor for significantly intense reflections: 0.0991
• Weighted residual factors for significantly intense reflections: 0.2609
• Weighted residual factors for all reflections included in the refinement: 0.3074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No