Information card for entry 7159474

Structure parameters

• Formula: C16 H14 O3
• Calculated formula: C16 H14 O3
• Title of publication: Catalytic <i>vs.</i> uncatalyzed [2 + 2] photocycloadditions of quinones with alkynes.
• Authors of publication: Fadeev, Alexander A.; Kotora, Martin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 30
• Pages of publication: 6174 - 6179
• a: 12.4042 ± 0.0004 Å
• b: 8.1827 ± 0.0002 Å
• c: 12.1889 ± 0.0004 Å
• α: 90°
• β: 99.91 ± 0.001°
• γ: 90°
• Cell volume: 1218.71 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0357
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No