Information card for entry 4327065

Structure parameters

• Formula: C33 H50 B N3
• Calculated formula: C33 H50 B N3
• SMILES: [BH]1(N(C(C)C)C(C)C)=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C1(C)C
• 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: 11.8042 ± 0.0006 Å
• b: 17.7389 ± 0.0009 Å
• c: 15.7116 ± 0.0008 Å
• α: 90°
• β: 92.856 ± 0.001°
• γ: 90°
• Cell volume: 3285.8 ± 0.3 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: 0.0629
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No