Information card for entry 1519626

Structure parameters

• Formula: C32 H32 B N
• Calculated formula: C32 H32 B N
• SMILES: n12c3cc(B(c4c(cc(cc4C)C)C)c4c(cc(cc4C)C)C)c2C=CCC1c1c3cccc1
• 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: 10.0993 ± 0.0002 Å
• b: 10.2609 ± 0.0002 Å
• c: 23.8794 ± 0.0005 Å
• α: 90°
• β: 97.3582 ± 0.0011°
• γ: 90°
• Cell volume: 2454.19 ± 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: 0.1085
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No