Information card for entry 1519627

Structure parameters

• Formula: C38 H34 B N
• Calculated formula: C38 H34 B N
• SMILES: B(c1c(c2cc3n4c(c5c3cccc5)cccc24)cccc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• 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: 8.8087 ± 0.0005 Å
• b: 11.1753 ± 0.0006 Å
• c: 16.1219 ± 0.0009 Å
• α: 72.148 ± 0.004°
• β: 78.052 ± 0.004°
• γ: 74.662 ± 0.004°
• Cell volume: 1443.04 ± 0.14 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1254
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No