Information card for entry 7116832

Structure parameters

• Formula: C26 H23 N
• Calculated formula: C26 H23 N
• SMILES: n1(c2ccc(cc2)C)cc(c(C(=C)c2ccccc2)c1c1ccccc1)C
• Title of publication: Synthesis of 3-bromosubstituted pyrroles via palladium-catalyzed intermolecular oxidative cyclization of bromoalkynes with N-allylamines
• Authors of publication: Jia Zheng; Liangbin Huang; Zun Li; Wanqing Wu; Jianxiao Li; Huanfeng Jiang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 5894
• a: 15.205 ± 0.003 Å
• b: 7.3621 ± 0.0015 Å
• c: 18.007 ± 0.004 Å
• α: 90°
• β: 96.56 ± 0.03°
• γ: 90°
• Cell volume: 2002.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No