Information card for entry 7718306

Structure parameters

• Chemical name: N-methyl-Indole-BHMeoCb2
• Formula: C31 H74 B42 Cl2 N2
• Calculated formula: C31 H74 B42 Cl2 N2
• Title of publication: Dearomative C2-borylation of indoles.
• Authors of publication: Begum, Ayesha; Akram, Manjur O.; Martin, Caleb D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 5664 - 5667
• a: 15.5145 ± 0.0005 Å
• b: 18.9095 ± 0.0006 Å
• c: 38.3552 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11252.3 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No