Information card for entry 7126322

Structure parameters

• Formula: C66 H100 N4
• Calculated formula: C66 H100 N4
• SMILES: N1(C(=C\2N(CCN2Cc2cc(cc(c2)C(C)(C)C)C(C)(C)C)Cc2cc(cc(c2)C(C)(C)C)C(C)(C)C)/N(CC1)Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C
• 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: 18.6997 ± 0.0004 Å
• b: 17.6316 ± 0.0003 Å
• c: 20.1905 ± 0.0005 Å
• α: 90°
• β: 117.532 ± 0.003°
• γ: 90°
• Cell volume: 5903 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• 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: 0.074
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No