Information card for entry 7160654

Structure parameters

• Formula: C19 H12 O3
• Calculated formula: C19 H12 O3
• Title of publication: NaIO₄-driven oxidative dimerization and Cu(I)-catalyzed oxidative decarbonylation: modular synthesis of 1,2-naphthoquinones and aryl naphtho[2,<i>b</i>]furans.
• Authors of publication: Ahmad, Mudassir; Rather, Gowhar Ahmad; Rashid Tarray, Amir; Lone, Waseem I.; Rashid, Showkat
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 34
• Pages of publication: 7724 - 7730
• a: 16.883 ± 0.0006 Å
• b: 7.0571 ± 0.0002 Å
• c: 24.4179 ± 0.0008 Å
• α: 90°
• β: 94.618 ± 0.001°
• γ: 90°
• Cell volume: 2899.83 ± 0.16 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No