Information card for entry 7152999

Structure parameters

• Formula: C20 H22 Cl N3 O4
• Calculated formula: C20 H22 Cl N3 O4
• SMILES: [Cl-].O=C1N(C(=O)c2cccc3c(N)ccc1c23)CCc1cc[n+](cc1)C.O.O
• 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: 8.1105 ± 0.0016 Å
• b: 8.8677 ± 0.0018 Å
• c: 14.245 ± 0.003 Å
• α: 98.63 ± 0.03°
• β: 96.32 ± 0.03°
• γ: 110.67 ± 0.03°
• Cell volume: 932.9 ± 0.4 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No