Information card for entry 1513752

Structure parameters

• Formula: C24 H27 N O6
• Calculated formula: C24 H27 N O6
• SMILES: c1(cc2ccc(cc2cc1)OC)[C@@H](C)C(=O)N[C@H](C(=O)OC)Cc1ccc(cc1)O.O
• Title of publication: Photooxygenation mechanisms in naproxen-amino acid linked systems.
• Authors of publication: Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2014
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 224 - 230
• a: 4.9526 ± 0.0003 Å
• b: 10.2028 ± 0.0006 Å
• c: 10.7011 ± 0.0007 Å
• α: 92.352 ± 0.004°
• β: 94.615 ± 0.004°
• γ: 96.777 ± 0.004°
• Cell volume: 534.51 ± 0.06 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No