Information card for entry 1519625

Structure parameters

• Formula: C32 H30 B N
• Calculated formula: C32 H30 B N
• SMILES: n12c3cc(B(c4c(cc(cc4C)C)C)c4c(cc(cc4C)C)C)c2cccc1c1c3cccc1
• Title of publication: One-Pot Synthesis of Brightly Fluorescent Mes2B-Functionalized Indolizine Derivatives via Cycloaddition Reactions.
• Authors of publication: Yang, Deng-Tao; Radtke, Julian; Mellerup, Soren K.; Yuan, Kang; Wang, Xiang; Wagner, Matthias; Wang, Suning
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 2486 - 2489
• a: 10.2671 ± 0.0002 Å
• b: 10.1236 ± 0.0002 Å
• c: 23.3329 ± 0.0006 Å
• α: 90°
• β: 98.876 ± 0.002°
• γ: 90°
• Cell volume: 2396.18 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1202
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No