Information card for entry 7134299

Structure parameters

• Formula: C21 H19 Br F N O2
• Calculated formula: C21 H19 Br F 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: 9.0327 ± 0.0005 Å
• b: 19.2302 ± 0.0012 Å
• c: 11.7338 ± 0.0007 Å
• α: 90°
• β: 103.989 ± 0.006°
• γ: 90°
• Cell volume: 1977.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0573
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No