Information card for entry 7716866

Structure parameters

• Formula: C H B Cl O
• Calculated formula: C2.11966 H2.46154 B0.683761 O0.273504
• Title of publication: The synthesis and application of o-carborane-based macrocyclic arenes
• Authors of publication: Liu, Jiayi; Fu, Meigui; Yuan, Shuai; Lin, CaiXia; Yuan, Yaofeng
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 19.3942 ± 0.0002 Å
• b: 13.1304 ± 0.0001 Å
• c: 33.0142 ± 0.0003 Å
• α: 90°
• β: 96.091 ± 0.001°
• γ: 90°
• Cell volume: 8359.72 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.2255
• Weighted residual factors for all reflections included in the refinement: 0.2367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No