Information card for entry 7130535

Structure parameters

• Formula: C25 H21 N O3
• Calculated formula: C25 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: 11.0647 ± 0.0002 Å
• b: 12.8133 ± 0.0002 Å
• c: 15.8157 ± 0.0003 Å
• α: 111.413 ± 0.002°
• β: 91.06 ± 0.001°
• γ: 102.444 ± 0.001°
• Cell volume: 2026.78 ± 0.07 ų
• Cell temperature: 297.8 ± 0.8 K
• Ambient diffraction temperature: 297.8 ± 0.8 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: 0.0673
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No