Information card for entry 4515479

Structure parameters

• Formula: C29 H20 B F18 N6 Rh
• Calculated formula: C29 H20 B F18 N6 Rh
• SMILES: [Rh]1234([n]5n(c(cc5C(F)(F)F)C(F)(F)F)[BH](n5[n]1c(cc5C(F)(F)F)C(F)(F)F)n1nc(cc1C(F)(F)F)C(F)(F)F)[CH]1C5[CH]4=[CH]3C([CH]2=1)C5.c1(ccccc1)C
• Title of publication: Umpolung <i>α</i>-Silylation of Cyclopropyl Acetates via Low-Temperature Catalytic C-C Activation.
• Authors of publication: Avullala, Thirupataiah; Asgari, Parham; Hua, Yuanda; Bokka, Apparao; Ridlen, Shawn G.; Yum, Kyungsuk; Dias, H. V. Rasika; Jeon, Junha
• Journal of publication: ACS catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 402 - 408
• a: 18.0106 ± 0.0008 Å
• b: 9.0679 ± 0.0004 Å
• c: 19.7109 ± 0.0009 Å
• α: 90°
• β: 96.859 ± 0.002°
• γ: 90°
• Cell volume: 3196.1 ± 0.2 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101.05 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No