Information card for entry 7157445

Structure parameters

• Formula: C22 H17 N2 O3
• Calculated formula: C22 H17 N2 O3
• Title of publication: A domino annulation approach to 3,4-diacylpyrrolo[1,2-a]pyrazines: decoration of pyrazine units.
• Authors of publication: Dagar, Anuradha; Seo, Yohan; Namkung, Wan; Kim, Ikyon
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 3324 - 3333
• a: 9.8538 ± 0.0017 Å
• b: 10.2156 ± 0.0017 Å
• c: 18.572 ± 0.003 Å
• α: 90°
• β: 102.789 ± 0.017°
• γ: 90°
• Cell volume: 1823.1 ± 0.5 ų
• Cell temperature: 293.31 ± 0.1 K
• Ambient diffraction temperature: 293.31 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1476
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1763
• 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: Yes
• Has Fobs: No