Information card for entry 1570203

Structure parameters

• Chemical name: monoclinic
• Formula: C31 H25 B F4 N2
• Calculated formula: C31 H25 B F4 N2
• Title of publication: Mechanistic insights into an NH₄OAc-promoted imine dance in Rh-catalysed multicomponent double C-H annulations through an N-retention/exchange dual channel.
• Authors of publication: Li, Shiqing; Lv, Shihai; Yang, Yanyan; Zhu, Peiyan; Zhao, Dongbing; Zeng, Ming-Hua
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 46
• Pages of publication: 13446 - 13452
• a: 8.5802 ± 0.0009 Å
• b: 19.2499 ± 0.0019 Å
• c: 15.3566 ± 0.0017 Å
• α: 90°
• β: 94.856 ± 0.006°
• γ: 90°
• Cell volume: 2527.3 ± 0.5 ų
• Cell temperature: 260 K
• Ambient diffraction temperature: 260 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1623
• Residual factor for significantly intense reflections: 0.12
• Weighted residual factors for significantly intense reflections: 0.3367
• Weighted residual factors for all reflections included in the refinement: 0.3513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No