Information card for entry 7031222

Structure parameters

• Formula: C34 H38 B2 N2
• Calculated formula: C34 H38 B2 N2
• SMILES: N1([C@H](c2c(B1c1ccccc1)cccc2)[C@H]1N(B(c2c1cccc2)c1ccccc1)C(C)(C)C)C(C)(C)C.N1([C@@H](c2c(B1c1ccccc1)cccc2)[C@@H]1N(B(c2c1cccc2)c1ccccc1)C(C)(C)C)C(C)(C)C
• Title of publication: Reduction of C,N-chelated chloroborane: straightforward formation of the unprecedented 1H-2,1-benzazaborolyl potassium salt.
• Authors of publication: Hejda, Martin; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; Dostál, Libor
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 24
• Pages of publication: 9012 - 9015
• a: 8.181 ± 0.0005 Å
• b: 11.8551 ± 0.0007 Å
• c: 15.389 ± 0.0009 Å
• α: 106.546 ± 0.005°
• β: 95.863 ± 0.005°
• γ: 95.354 ± 0.006°
• Cell volume: 1411.47 ± 0.15 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No