Information card for entry 7251602

Structure parameters

• Formula: C10 H12 O4
• Calculated formula: C10 H12 O4
• Title of publication: Selective conversion of lignin to benzoquinones under ambient conditions: unlocking the potential of a single platform chemical strategy
• Authors of publication: Li, Xinquan; Chavez, Anthony J.; Zhang, Hao; Andryushkina, Daria; Ford, Peter C.; Abu-Omar, Mahdi M.
• Journal of publication: Green Chemistry
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 9
• Pages of publication: 4255 - 4262
• a: 9.3761 ± 0.0017 Å
• b: 7.8776 ± 0.0015 Å
• c: 13.285 ± 0.002 Å
• α: 90°
• β: 94.051 ± 0.011°
• γ: 90°
• Cell volume: 978.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0677
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No