Information card for entry 1502736

Structure parameters

• Formula: C24 H25 N O2
• Calculated formula: C24 H25 N O2
• SMILES: C(O)([C@H](C(C)C)/N=C/c1c(O)cccc1)(c1ccccc1)c1ccccc1
• Title of publication: Solid state NMR spectroscopy as a precise tool for assigning the tautomeric form and proton position in the intramolecular bridges of o-hydroxy Schiff bases.
• Authors of publication: Jaworska, Magdalena; Hrynczyszyn, Paweł B; Wełniak, Mirosław; Wojtczak, Andrzej; Nowicka, Katarzyna; Krasiński, Grzegorz; Kassassir, Hassan; Ciesielski, Włodzimierz; Potrzebowski, Marek J.
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2010
• Journal volume: 114
• Journal issue: 47
• Pages of publication: 12522 - 12530
• a: 6.1987 ± 0.0015 Å
• b: 16.054 ± 0.003 Å
• c: 20.033 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1993.6 ± 0.7 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.119
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No