Information card for entry 7158758

Structure parameters

• Formula: C15 H14 N2 O2
• Calculated formula: C15 H14 N2 O2
• Title of publication: Catalyst-free direct regiospecific multicomponent synthesis of C3-functionalized pyrroles.
• Authors of publication: Pawar, Amol Prakash; Yadav, Jyothi; Dolas, Atul Jankiram; Iype, Eldhose; Rangan, Krishnan; Kumar, Indresh
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 29
• Pages of publication: 5747 - 5758
• a: 11.1124 ± 0.0002 Å
• b: 11.301 ± 0.0001 Å
• c: 10.6161 ± 0.0002 Å
• α: 90°
• β: 109.698 ± 0.002°
• γ: 90°
• Cell volume: 1255.17 ± 0.04 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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: 0.0411
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No