Information card for entry 7159990

Structure parameters

• Formula: C26 H29 N O
• Calculated formula: C26 H29 N O
• Title of publication: One-pot formal [3 + 2] annulation of 2-pyridinyl-substituted <i>p</i>-quinone methides and arynes for the synthesis of 3-aryl pyrido[1,2-<i>a</i>]indoles.
• Authors of publication: Li, Mengfan; Chen, Yan; Tang, Hao; Cheng, Wen; Liao, Benren; Wang, Qingwei; Yi, Weiyin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 27
• Pages of publication: 5618 - 5628
• a: 9.3265 ± 0.0001 Å
• b: 9.3265 ± 0.0001 Å
• c: 12.2744 ± 0.0002 Å
• α: 88.792 ± 0.001°
• β: 88.792 ± 0.001°
• γ: 80.488 ± 0.001°
• Cell volume: 1052.59 ± 0.02 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 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: 0.057
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No