Information card for entry 7126323

Structure parameters

• Formula: C61 H82 N4 O3
• Calculated formula: C61 H82 N4 O3
• 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: 22.6094 ± 0.0003 Å
• b: 17.959 ± 0.0002 Å
• c: 29.4427 ± 0.0004 Å
• α: 90°
• β: 111.156 ± 0.002°
• γ: 90°
• Cell volume: 11149.2 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0968
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1866
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No