Information card for entry 4033392

Structure parameters

• Formula: C118 H156 N22 O23 S6
• Calculated formula: C118 H156 N22 O23 S6
• Title of publication: Synthesis, Structure, and Properties of Corona[6]arenes and Their Assembly with Anions in the Crystalline State.
• Authors of publication: Zhao, Meng-Yao; Wang, De-Xian; Wang, Mei-Xiang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 3
• Pages of publication: 1502 - 1509
• a: 11.713 ± 0.003 Å
• b: 12.688 ± 0.004 Å
• c: 21.381 ± 0.006 Å
• α: 100.163 ± 0.004°
• β: 92.151 ± 0.005°
• γ: 96.439 ± 0.005°
• Cell volume: 3102.6 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.2086
• Weighted residual factors for all reflections included in the refinement: 0.2203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No