Information card for entry 7153000

Structure parameters

• Formula: C22 H22 F6 N3 O2 P
• Calculated formula: C22 H22 F6 N3 O2 P
• SMILES: O=C1N(C(=O)c2cccc3c(N(C)C)ccc1c23)CCc1cc[n+](cc1)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: The effect of the 4-amino functionality on the photophysical and DNA binding properties of alkyl-pyridinium derived 1,8-naphthalimides.
• Authors of publication: Banerjee, Swagata; Kitchen, Jonathan A.; Gunnlaugsson, Thorfinnur; Kelly, John M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 34
• Pages of publication: 5642 - 5655
• a: 8.8081 ± 0.0004 Å
• b: 9.2489 ± 0.0004 Å
• c: 14.9085 ± 0.0006 Å
• α: 85.58 ± 0.002°
• β: 89.039 ± 0.002°
• γ: 62.137 ± 0.002°
• Cell volume: 1070.27 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No