Information card for entry 1559250

Structure parameters

• Formula: C34 H46 N4
• Calculated formula: C34 H46 N4
• SMILES: C(=N\C(C)C)(c1ccc(cc1)c1ccc(c2ccc(/C(=N\C(C)C)N(C)C(C)C)cc2)cc1)/N(C)C(C)C
• Title of publication: Acyclic Diaminocarbene-Based Thiele, Chichibabin, and Müller Hydrocarbons
• Authors of publication: Maiti, Avijit; Chandra, Shubhadeep; Sarkar, Biprajit; Jana, Anukul
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 6.6157 ± 0.0005 Å
• b: 22.4602 ± 0.0017 Å
• c: 10.2356 ± 0.0008 Å
• α: 90°
• β: 93.229 ± 0.007°
• γ: 90°
• Cell volume: 1518.5 ± 0.2 ų
• Cell temperature: 197.19 ± 0.1 K
• Ambient diffraction temperature: 197.19 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No