Information card for entry 1513749

Structure parameters

• Common name: 2004uv02cj02b
• Formula: C26 H26 N2 O4
• Calculated formula: C26 H26 N2 O4
• SMILES: O=C([C@H](c1ccc2cc(ccc2c1)OC)C)N[C@@H](Cc1c2ccccc2[nH]c1)C(=O)OC
• 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: 8.4099 ± 0.0002 Å
• b: 5.3783 ± 0.0002 Å
• c: 23.8999 ± 0.0007 Å
• α: 90°
• β: 100.092 ± 0.002°
• γ: 90°
• Cell volume: 1064.29 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No