Information card for entry 4104441

Structure parameters

• Formula: C12 H10 O4
• Calculated formula: C12 H10 O4
• 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: 3.8266 ± 0.0002 Å
• b: 23.0145 ± 0.0009 Å
• c: 5.9776 ± 0.0002 Å
• α: 90°
• β: 91.777 ± 0.003°
• γ: 90°
• Cell volume: 526.18 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1477
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.2817
• Weighted residual factors for all reflections included in the refinement: 0.3529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No