Information card for entry 7160779

Structure parameters

• Formula: C27 H24 Cl N O4
• Calculated formula: C27 H24 Cl N O4
• Title of publication: Synthesis and late-stage C-H functionalization of papaverines.
• Authors of publication: Suresh, Sundararajan; Nawaz Khan, Fazlur Rahman
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 37
• Pages of publication: 8431 - 8436
• a: 13.0817 ± 0.0018 Å
• b: 21.482 ± 0.003 Å
• c: 8.3972 ± 0.0013 Å
• α: 90°
• β: 95.402 ± 0.004°
• γ: 90°
• Cell volume: 2349.3 ± 0.6 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• 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: 0.1635
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.2505
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No