Information card for entry 7134298

Structure parameters

• Formula: C21 H20 Br N O2
• Calculated formula: C21 H20 Br N O2
• Title of publication: Gold/silver-catalyzed synthesis of functionalized indoles from <i>N</i>-allyl-2-alkynylanilines and α-diazo compounds <i>via</i> 1,3-allyl migration.
• Authors of publication: Thakur, Deepika; Meena, Shivam A.; Sharma, Manvi; Verma, Akhilesh K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 28
• Pages of publication: 5313 - 5316
• a: 8.9741 ± 0.0002 Å
• b: 18.6365 ± 0.0004 Å
• c: 11.5094 ± 0.0003 Å
• α: 90°
• β: 103.833 ± 0.003°
• γ: 90°
• Cell volume: 1869.07 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0299
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No