Information card for entry 7158105

Structure parameters

• Formula: C41 H39 B F9 N3
• Calculated formula: C41 H39 B F9 N3
• Title of publication: Formation of amidino-borate derivatives by a multi-component reaction.
• Authors of publication: Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 25
• Pages of publication: 5551 - 5554
• a: 20.6283 ± 0.0007 Å
• b: 8.916 ± 0.0002 Å
• c: 19.7224 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3627.38 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No