Information card for entry 1559252

Structure parameters

• Formula: C38 H52 F6 N4 O6 S2
• Calculated formula: C38 H52 F6 N4 O6 S2
• 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: 8.2064 ± 0.0003 Å
• b: 8.6379 ± 0.0003 Å
• c: 18.5201 ± 0.0007 Å
• α: 86.324 ± 0.003°
• β: 89.745 ± 0.003°
• γ: 69.232 ± 0.003°
• Cell volume: 1224.75 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1887
• Weighted residual factors for all reflections included in the refinement: 0.2047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No