Information card for entry 1550574

Structure parameters

• Formula: C88 H100 F24 N8 O16 Rh2 S4
• Calculated formula: C88.0008 H100.002 F24 N8 O16.0004 Rh2 S4.0004
• Title of publication: Site-Selective Nitrenoid Insertions Utilizing Postfunctionalized Bifunctional Rhodium(II) Catalysts
• Authors of publication: Berndt, Jan Philipp; Radchenko, Yevhenii; Becker, Jonathan; Logemann, Christian; Bhandari, Dhaka Ram; Hrdina, Radim; SCHREINER, Peter Richard
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 14.0242 ± 0.0009 Å
• b: 14.3859 ± 0.0009 Å
• c: 17.8002 ± 0.0011 Å
• α: 89.158 ± 0.002°
• β: 89.755 ± 0.002°
• γ: 62.152 ± 0.002°
• Cell volume: 3174.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No