Information card for entry 4067799

Structure parameters

• Formula: C30 H31 B N2 O2
• Calculated formula: C26 H23 B N2 O
• SMILES: B1n2c(C(c3ccccc3OC)c3n1c1c(c3C)cccc1)c(c1ccccc21)C
• Title of publication: Planar, Three-Coordinate Boron Monohydrides Ligated by Bis(3-methylindolyl)methanes
• Authors of publication: Song, Bingxu; Kirschbaum, Kristin; Mason, Mark R.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 191
• a: 8.9175 ± 0.0019 Å
• b: 12.367 ± 0.003 Å
• c: 13.132 ± 0.003 Å
• α: 117.198 ± 0.003°
• β: 100.154 ± 0.004°
• γ: 100.595 ± 0.004°
• Cell volume: 1208.7 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0689
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No