Information card for entry 7056464

Structure parameters

• Formula: C26 H24 N2 O2
• Calculated formula: C26 H24 N2 O2
• SMILES: c12ccc3ccccc3c2CN(CCN2Cc3c(ccc4ccccc34)OC2)CO1
• Title of publication: Preparing Mn(III) salen-type Schiff base complexes using 1,3-oxazines obtained by Mannich condensation: Towards removing ortho-hydroxyaldehydes
• Authors of publication: Bikas, Rahman; Emami, Marzieh; Ślepokura, Katarzyna; Noshiranzadeh, Nader
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 18
• Pages of publication: 9710 - 9717
• a: 9.834 ± 0.003 Å
• b: 5.07 ± 0.002 Å
• c: 19.48 ± 0.008 Å
• α: 90°
• β: 96.32 ± 0.03°
• γ: 90°
• Cell volume: 965.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1474
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No