Information card for entry 4317629

Structure parameters

• Formula: C12 H12 N2 O2
• Calculated formula: C12 H12 N2 O2
• SMILES: n1(c2ccccc2)nc(C)c(C(=O)C)c1O
• Title of publication: First Structurally Characterized Silver(I) Derivatives with Nonfluorinated β-Diketones
• Authors of publication: Augusto Cingolani; Effendy; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Brian W. Skelton; Allan H. White
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1151 - 1161
• a: 17.981 ± 0.006 Å
• b: 5.064 ± 0.004 Å
• c: 24.271 ± 0.006 Å
• α: 90°
• β: 99.67 ± 0.02°
• γ: 90°
• Cell volume: 2178.6 ± 1.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections: 1.58
• Goodness-of-fit parameter for all reflections included in the refinement: 1.68
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No