Information card for entry 7109747

Structure parameters

• Formula: C21 H19 N3 O2
• Calculated formula: C21 H19 N3 O2
• SMILES: O=C1N(C(=O)c2ccc(N(C)C)c3c2c1ccc3)CCc1ccncc1
• Title of publication: Synthesis, spectroscopic and biological studies of a fluorescent Pt(II) (terpy) based 1,8-naphthalimide conjugate as a DNA targeting agent
• Authors of publication: Swagata Banerjee; Jonathan A. Kitchen; Sandra A. Bright; John E. O'Brien; D. Clive Williams; John M. Kelly; Thorfinnur Gunnlaugsson
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 8522
• a: 14.785 ± 0.003 Å
• b: 7.12 ± 0.0014 Å
• c: 17.076 ± 0.003 Å
• α: 90°
• β: 108.28 ± 0.03°
• γ: 90°
• Cell volume: 1706.9 ± 0.6 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 118 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No