Information card for entry 7152261

Structure parameters

• Formula: C19 H16 F6 N3 O2 P
• Calculated formula: C19 H16 F6 N3 O2 P
• SMILES: O=C1N(C(=O)c2ccc(N)c3cccc1c23)CC[n+]1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis and photophysical evaluation of a pyridinium 4-amino-1,8-naphthalimide derivative that upon intercalation displays preference for AT-rich double-stranded DNA.
• Authors of publication: Banerjee, Swagata; Kitchen, Jonathan A.; Gunnlaugsson, Thorfinnur; Kelly, John M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 15
• Pages of publication: 3033 - 3043
• a: 9.4536 ± 0.0019 Å
• b: 9.3865 ± 0.0019 Å
• c: 21.293 ± 0.004 Å
• α: 90°
• β: 100.03 ± 0.03°
• γ: 90°
• Cell volume: 1860.6 ± 0.7 ų
• Cell temperature: 112 ± 2 K
• Ambient diffraction temperature: 112 ± 2 K
• Number of distinct elements: 6
• 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: 0.06
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No