Information card for entry 1559253

Structure parameters

• Formula: C36 H52 N4
• Calculated formula: C36 H52 N4
• SMILES: C(=C1C=CC(C=C1)=C1C=CC(=C2C=CC(=C(N(C)C(C)C)N(C)C(C)C)C=C2)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: 15.117 ± 0.0008 Å
• b: 9.2664 ± 0.0005 Å
• c: 11.9686 ± 0.0007 Å
• α: 90°
• β: 108.222 ± 0.006°
• γ: 90°
• Cell volume: 1592.49 ± 0.16 ų
• Cell temperature: 240 ± 0.1 K
• Ambient diffraction temperature: 240 ± 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: 0.0837
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No