Information card for entry 4089055

Structure parameters

• Formula: C21 H26 I N3
• Calculated formula: C21 H26 I N3
• SMILES: [I-].n1(n[n+](cc1c1ccccc1)c1c(C(C)C)cccc1C(C)C)C
• Title of publication: Mono- and Digold(I) Complexes with Mesoionic Carbenes: Structural Characterization and Use in Catalytic Silver-Free Oxazoline Formation
• Authors of publication: Hettmanczyk, Lara; Schulze, Dennis; Suntrup, Lisa; Sarkar, Biprajit
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 22
• Pages of publication: 3828
• a: 7.8184 ± 0.0013 Å
• b: 13.242 ± 0.002 Å
• c: 20.089 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2079.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No