Information card for entry 4327066

Structure parameters

• Formula: C34 H52 B2 N4
• Calculated formula: C34 H52 B2 N4
• SMILES: [BH]([BH](=C1N(C(=C(N1C(C)C)C)C)C(C)C)c1ccccc1)(=C1N(C(=C(N1C(C)C)C)C)C(C)C)c1ccccc1
• Title of publication: Carbene Stabilization of Highly Reactive Main-Group Molecules
• Authors of publication: Yuzhong Wang; Gregory H. Robinson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12326 - 12337
• a: 15.1072 ± 0.0013 Å
• b: 11.8124 ± 0.001 Å
• c: 20.1012 ± 0.0017 Å
• α: 90°
• β: 110.143 ± 0.001°
• γ: 90°
• Cell volume: 3367.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No