Information card for entry 7111242

Structure parameters

• Formula: C14 H14 N2 O4
• Calculated formula: C14 H14 N2 O4
• SMILES: N(=N(=O)c1ccccc1OC)(=O)c1ccccc1OC
• Title of publication: A novel scandium ortho-methoxynitrosobenzene-dimer complex: mechanistic implications for the nitroso-Diels???Alder reaction
• Authors of publication: Lightfoot, Andrew P.; Pritchard, Robin G.; Wan, Hayley; Warren, John E.; Whiting, Andrew
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 2072
• a: 19.9465 ± 0.0003 Å
• b: 8.9822 ± 0.0001 Å
• c: 15.6262 ± 0.0002 Å
• α: 90°
• β: 107.259°
• γ: 90°
• Cell volume: 2673.59 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0751
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No