Information card for entry 7051266

Structure parameters

• Formula: C15 H14 N2 O3
• Calculated formula: C15 H14 N2 O3
• SMILES: Oc1ccccc1NC(=O)C/N=C/c1ccccc1O
• Title of publication: A direct route to obtain manganese(III) complexes with a new class of asymmetrical Schiff base ligands
• Authors of publication: Bermejo, Manuel R.; González, Ana M.; Fondo, Matilde; García-Deibe, Ana; Maneiro, Marcelino; Sanmartín, Jesús; Hoyos, Olga L.; Watkinson, Michael
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 4
• Pages of publication: 235
• a: 6.6655 ± 0.0002 Å
• b: 16.4067 ± 0.0005 Å
• c: 12.7938 ± 0.0001 Å
• α: 90°
• β: 94.307 ± 0.002°
• γ: 90°
• Cell volume: 1395.16 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections: 0.159
• Weighted residual factors for significantly intense reflections: 0.1288
• Goodness-of-fit parameter for all reflections: 0.959
• Goodness-of-fit parameter for significantly intense reflections: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No