Information card for entry 4024804

Structure parameters

• Formula: C30 H31 N3 O4 S
• Calculated formula: C30 H31 N3 O4 S
• SMILES: c12cccc(c1cccc2S(=O)(=O)NCCCCCCN1C(=O)c2cccc3c2c(ccc3)C1=O)N(C)C
• Title of publication: Fluorescence Ratiometric Selective Recognition of Cu2+ Ions by Dansyl-Naphthalimide Dyads
• Authors of publication: Vadakkancheril S. Jisha; Anu J. Thomas; Danaboyina Ramaiah
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 6667 - 6673
• a: 9.175 ± 0.005 Å
• b: 18.652 ± 0.005 Å
• c: 15.823 ± 0.005 Å
• α: 90 ± 0.005°
• β: 100.355 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2663.7 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No