Information card for entry 7126321

Structure parameters

• Formula: C94.5 H99 B Cl2 F24 N4 O3.5
• Calculated formula: C94.5 H99 B Cl2 F24 N4 O3.5
• Title of publication: Interlocking increases the persistence of N-heterocyclic carbenes in solution.
• Authors of publication: Hsueh, Fang-Che; Tsai, Chi-You; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 35
• Pages of publication: 4773 - 4776
• a: 16.4668 ± 0.0002 Å
• b: 21.1135 ± 0.0003 Å
• c: 27.6864 ± 0.0003 Å
• α: 90°
• β: 103.746 ± 0.001°
• γ: 90°
• Cell volume: 9350.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1948
• Weighted residual factors for all reflections included in the refinement: 0.2124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No