Information card for entry 4130231

Structure parameters

• Formula: C7 H10 B N O4
• Calculated formula: C7 H10 B N O4
• Title of publication: Scalable, Metal- and Additive-Free, Photoinduced Borylation of Haloarenes and Quaternary Arylammonium Salts.
• Authors of publication: Mfuh, Adelphe M.; Doyle, John D.; Chhetri, Bhuwan; Arman, Hadi D.; Larionov, Oleg V.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 9
• Pages of publication: 2985 - 2988
• a: 3.7693 ± 0.0004 Å
• b: 8.5103 ± 0.0011 Å
• c: 14.0577 ± 0.0017 Å
• α: 93.315 ± 0.007°
• β: 91.465 ± 0.006°
• γ: 94.628 ± 0.007°
• Cell volume: 448.51 ± 0.09 ų
• Cell temperature: 98 K
• Ambient diffraction temperature: 98 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No