Information card for entry 4060694

Structure parameters

• Common name: [2,6-(2-MeC6H4)2C6H3BH(m-H)]2
• Formula: C40 H38 B2
• Calculated formula: C40 H38 B2
• SMILES: Cc1ccccc1c1cccc(c1[BH]12[BH](c3c(c4c(C)cccc4)cccc3c3ccccc3C)([H]1)[H]2)c1ccccc1C
• Title of publication: Unsymmetrical 9-Borafluorenes via Low Temperature C-H Activation of m- Terphenyl-boranes
• Authors of publication: Rudolf J. Wehmschulte; Armando A. Diaz; Masood A. Khan
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 11.2756 ± 0.0014 Å
• b: 11.298 ± 0.002 Å
• c: 12.691 ± 0.002 Å
• α: 77.854 ± 0.012°
• β: 88.05 ± 0.009°
• γ: 86.787 ± 0.012°
• Cell volume: 1577.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1236
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No