Information card for entry 7126756

Structure parameters

• Formula: C30 H25 B N2 O
• Calculated formula: C30 H25 B N2 O
• SMILES: O=C(CCc1ccccc1)N1[B]([n]2cccc3c2c1ccc3)(c1ccccc1)c1ccccc1
• Title of publication: Dual aminoquinolate diarylboron and nickel catalysed metallaphotoredox platform for carbon-oxygen bond construction.
• Authors of publication: Zu, Weisai; Day, Craig; Wei, Lanfeng; Jia, Xin; Xu, Liang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 59
• Pages of publication: 8273 - 8276
• a: 17.643 ± 0.0005 Å
• b: 8.5349 ± 0.0003 Å
• c: 15.3612 ± 0.0005 Å
• α: 90°
• β: 95.447 ± 0.001°
• γ: 90°
• Cell volume: 2302.66 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0554
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No