Information card for entry 1559248

Structure parameters

• Formula: C24 H44 N4
• Calculated formula: C24 H44 N4
• SMILES: C(=C1C=CC(=C(N(C(C)C)C)N(C(C)C)C)C=C1)(N(C(C)C)C)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: 10.8244 ± 0.0013 Å
• b: 9.4809 ± 0.0018 Å
• c: 11.803 ± 0.0014 Å
• α: 90°
• β: 92.827 ± 0.011°
• γ: 90°
• Cell volume: 1209.8 ± 0.3 ų
• Cell temperature: 240.01 ± 0.1 K
• Ambient diffraction temperature: 240.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1376
• Residual factor for significantly intense reflections: 0.1025
• Weighted residual factors for significantly intense reflections: 0.2537
• Weighted residual factors for all reflections included in the refinement: 0.2803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No