Information card for entry 7114609

Structure parameters

• Formula: C22 H24 N2
• Calculated formula: C22 H24 N2
• SMILES: N1([C]N([C@H]2C3([C@H]1CCC3)CCC2)c1ccccc1)c1ccccc1.N1([C]N([C@@H]2C3([C@@H]1CCC3)CCC2)c1ccccc1)c1ccccc1
• Title of publication: Spiro-fused six-membered N-heterocyclic carbene: a new scaffold toward unique properties and activities
• Authors of publication: Bin-Miao Yang; Kai Xiang; Yong-Qiang Tu; Shi-Heng Zhang; Deng-Tao Yang; Shao-Hua Wang; Fu-Ming Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 7163
• a: 12.4457 ± 0.0009 Å
• b: 9.7837 ± 0.0005 Å
• c: 28.322 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3448.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1496
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.2098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No