Information card for entry 1559246

Structure parameters

• Formula: C26 H44 F6 N4 O6 S2
• Calculated formula: C26 H44 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: 9.7348 ± 0.0005 Å
• b: 13.5132 ± 0.0007 Å
• c: 14.3175 ± 0.0009 Å
• α: 67.708 ± 0.006°
• β: 77.216 ± 0.005°
• γ: 89.13 ± 0.004°
• Cell volume: 1694.54 ± 0.18 ų
• Cell temperature: 297.91 ± 0.1 K
• Ambient diffraction temperature: 297.91 ± 0.1 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: 0.1557
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2056
• Weighted residual factors for all reflections included in the refinement: 0.2327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No