Information card for entry 7026209

Structure parameters

• Formula: C42 H34 F6 N4 O6 S2
• Calculated formula: C42 H34 F6 N4 O6 S2
• Title of publication: A new chiral di-N-heterocyclic carbene (NHC) cyclophane ligand and its application in palladium enantioselective catalysis.
• Authors of publication: Jeletic, Matthew S.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 28
• Pages of publication: 6392 - 6394
• a: 31.103 ± 0.002 Å
• b: 11.878 ± 0.0009 Å
• c: 28.914 ± 0.002 Å
• α: 90°
• β: 115.714 ± 0.002°
• γ: 90°
• Cell volume: 9624.2 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No