Information card for entry 7111321

Structure parameters

• Formula: C15 H31 B N2
• Calculated formula: C15 H31 B N2
• SMILES: [B](=C1N(C(C)C)C=CN1C(C)C)(CC)(CC)CC
• Title of publication: Synthesis and reactivity of triethylborane adduct of N-heterocyclic carbene: versatile synthons for synthesis of N-heterocyclic carbene complexes
• Authors of publication: Yamaguchi, Yoshitaka; Kashiwabara, Taigo; Ogata, Kenichi; Miura, Yumiko; Nakamura, Yoshiyuki; Kobayashi, Kimiko; Ito, Takashi
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 19
• Pages of publication: 2160 - 2161
• a: 16.033 ± 0.008 Å
• b: 9.904 ± 0.008 Å
• c: 10.58 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1680 ± 2 ų
• Cell temperature: 223.2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.2122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.653
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No