Information card for entry 4104442

Structure parameters

• Formula: C12 H12 O5
• Calculated formula: C12 H12 O5
• Title of publication: Topochemical Limits for Solid-State Photoreactivity by Fine Tuning of the π-π Interactions
• Authors of publication: Shi-Yao Yang; Panče Naumov; Shunichi Fukuzumi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 7247 - 7249
• a: 24.7573 ± 0.0011 Å
• b: 5.6223 ± 0.0002 Å
• c: 3.8806 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 540.15 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 28
• Hermann-Mauguin space group symbol: P m a 2
• Hall space group symbol: P 2 -2a
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No