Information card for entry 1515409

Structure parameters

• Formula: C19 H14 N4
• Calculated formula: C19 H14 N4
• SMILES: c1cccc2NC(c3ncccc3)n3c4ccccc4nc3c12
• Title of publication: Development of a highly selective cell-permeable ratiometric fluorescent chemosensor for oxorhenium(V) ion.
• Authors of publication: Sen, Supriti; Mukherjee, Titas; Sarkar, Sandipan; Mukhopadhyay, Subhra Kanti; Chattopadhyay, Pabitra
• Journal of publication: The Analyst
• Year of publication: 2011
• Journal volume: 136
• Journal issue: 22
• Pages of publication: 4839 - 4845
• a: 8.724 ± 0.011 Å
• b: 13.085 ± 0.015 Å
• c: 13.323 ± 0.015 Å
• α: 90°
• β: 97.447 ± 0.01°
• γ: 90°
• Cell volume: 1508 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0684
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No