Information card for entry 4088671

Structure parameters

• Common name: 2,6-dimesitylphenylmethyleneimine
• Chemical name: 2,2".4,4",6,6"-hexamethyl-N-methylene-{1,1':3',1"-terphenyl]-2'amine
• Formula: C25 H27 N
• Calculated formula: C25 H27 N
• SMILES: C=Nc1c(c2c(cc(C)cc2C)C)cccc1c1c(C)cc(C)cc1C
• Title of publication: A Well-Defined Isocyano Analogue of HCo(CO)4. 1: Synthesis, Decomposition, and Catalytic 1,1-Hydrogenation of Isocyanides
• Authors of publication: Carpenter, Alex E.; Rheingold, Arnold L.; Figueroa, Joshua S.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 14
• Pages of publication: 2309
• a: 6.4717 ± 0.0007 Å
• b: 23.848 ± 0.002 Å
• c: 12.7063 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1961.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No