Information card for entry 4071463

Structure parameters

• Formula: C21 N2
• Calculated formula: C21 N2
• SMILES: N1(c2c(C)cccc2C)[C]N(c2c(cccc2C)C)CCCC1
• Title of publication: Novel Expanded Ring N-Heterocyclic Carbenes: Free Carbenes, Silver Complexes, And Structures
• Authors of publication: Iglesias, Manuel; Beetstra, Dirk J.; Knight, James C.; Ooi, Li-Ling; Stasch, Andreas; Coles, Simon; Male, Louise; Hursthouse, Michael B.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3279
• a: 10.143 ± 0.0004 Å
• b: 11.374 ± 0.0005 Å
• c: 16.292 ± 0.0007 Å
• α: 87.179 ± 0.002°
• β: 86.37 ± 0.0019°
• γ: 73.739 ± 0.0018°
• Cell volume: 1799.77 ± 0.13 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 2
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.2742
• Residual factor for significantly intense reflections: 0.2097
• Weighted residual factors for all reflections: 0.4773
• Weighted residual factors for significantly intense reflections: 0.428
• Weighted residual factors for all reflections included in the refinement: 0.4773
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No