Information card for entry 7130536

Structure parameters

• Formula: C26 H21 N O3
• Calculated formula: C26 H21 N O3
• Title of publication: TfOH-promoted synthesis of indoles and benzofurans involving cyclative transposition of vinyl ketone
• Authors of publication: Mandal, Mou; Balamurugan, Rengarajan
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 19.4449 ± 0.0008 Å
• b: 5.9085 ± 0.0002 Å
• c: 19.6048 ± 0.0008 Å
• α: 90°
• β: 116.246 ± 0.005°
• γ: 90°
• Cell volume: 2020.19 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0881
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No