Information card for entry 4033255

Structure parameters

• Formula: C60 H80 N4 O17 Rh2
• Calculated formula: C60 H80 N4 O17 Rh2
• Title of publication: Stereoselective Synthesis of Bicyclo[6.1.0]nonene Precursors of the Bioorthogonal Reagents s-TCO and BCN.
• Authors of publication: O'Brien, Jessica G K; Chintala, Srinivasa R.; Fox, Joseph M.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• a: 13.0141 ± 0.0008 Å
• b: 13.0141 ± 0.0008 Å
• c: 40.507 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6860.5 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 97
• Hermann-Mauguin space group symbol: I 4 2 2
• Hall space group symbol: I 4 2
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No