Information card for entry 7157538

Structure parameters

• Formula: C25 H19 N3 O6
• Calculated formula: C25 H19 N3 O6
• Title of publication: One-pot synthesis of pyrimidine linked naphthoquinone-fused pyrroles by iodine-mediated multicomponent reactions.
• Authors of publication: Panday, Anoop Kumar; Ali, Danish; Choudhury, Lokman H.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 26
• Pages of publication: 4997 - 5007
• a: 15.1872 ± 0.0009 Å
• b: 16.3092 ± 0.001 Å
• c: 34.3428 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8506.4 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.233
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No