Information card for entry 4068224

Structure parameters

• Formula: C33 H51 B N2
• Calculated formula: C33 H51 B N2
• Title of publication: From Anionic N-Heterocyclic Dicarbenes to Abnormal Carbene‒Borane Complexes: A Logical Synthetic Route
• Authors of publication: Wang, Yuzhong; Abraham, Mariham Y.; Gilliard, Robert J.; Wei, Pingrong; Smith, Jared C.; Robinson, Gregory H.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 791
• a: 11.2979 ± 0.0014 Å
• b: 15.4458 ± 0.0019 Å
• c: 19.384 ± 0.002 Å
• α: 79.11 ± 0.002°
• β: 81.492 ± 0.002°
• γ: 72.09 ± 0.002°
• Cell volume: 3146.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1201
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No