Information card for entry 1515312

Structure parameters

• Formula: C25 H17 N O2
• Calculated formula: C25 H17 N O2
• SMILES: c1(ccc2ccc3cccc4ccc1c2c34)N(C(=O)C)C(=O)c1ccccc1
• Title of publication: Synthesis, photophysical, photochemical, DNA cleavage/binding and cytotoxic properties of pyrene oxime ester conjugates.
• Authors of publication: Chowdhury, Nilanjana; Dutta, Sansa; Dasgupta, Swagata; Singh, N. D. Pradeep; Baidya, Mithu; Ghosh, S. K.
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2012
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1239 - 1250
• a: 12.847 ± 0.005 Å
• b: 8.845 ± 0.004 Å
• c: 32.399 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3682 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No