Information card for entry 1515311

Structure parameters

• Formula: C25 H17 N O2
• Calculated formula: C25 H16.5 N O2
• SMILES: O(/N=C(C)/c1c2c3c(cc1)ccc1c3c(cc2)ccc1)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: 29.964 ± 0.008 Å
• b: 12.267 ± 0.003 Å
• c: 10.108 ± 0.003 Å
• α: 90°
• β: 95.426 ± 0.009°
• γ: 90°
• Cell volume: 3698.7 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.3717
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.2291
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No