Information card for entry 7117560

Structure parameters

• Formula: C24 H16 Br3 N
• Calculated formula: C24 H16 Br3 N
• SMILES: Brc1ccc(Cc2cc(cc(c3ccc(Br)cc3)n2)c2ccc(Br)cc2)cc1
• Title of publication: Anti-Markovnikov hydroimination of terminal alkynes in gold-catalyzed pyridine construction from ammonia.
• Authors of publication: Wang, Liliang; Kong, Lingbing; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 62
• Pages of publication: 12419 - 12422
• a: 9.84 ± 0.0009 Å
• b: 13.6565 ± 0.0013 Å
• c: 15.873 ± 0.0016 Å
• α: 102.909 ± 0.006°
• β: 93.588 ± 0.006°
• γ: 95.664 ± 0.006°
• Cell volume: 2061.1 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.1328
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No