Information card for entry 7055096

Structure parameters

• Formula: C34 H25 N O3
• Calculated formula: C34 H25 N O3
• SMILES: O=N1=C2C=CC(=O)C=C2C(=CC1(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1
• Title of publication: The reactivity of manganese dioxide with different substrates in organic solvents
• Authors of publication: Astolfi, Paola; Alberti, Angelo; Carloni, Patricia; Greci, Lucedio; Rizzoli, Corrado; Stipa, Pierluigi
• Journal of publication: New J. Chem.
• Year of publication: 2015
• a: 12.8819 ± 0.0011 Å
• b: 19.3135 ± 0.0015 Å
• c: 21.382 ± 0.003 Å
• α: 90°
• β: 94.83 ± 0.009°
• γ: 90°
• Cell volume: 5300.8 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0769
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No