Information card for entry 7056494

Structure parameters

• Formula: C25 H21 N3 O3
• Calculated formula: C25 H21 N3 O3
• SMILES: O=C1c2c3[nH]c(nc3ccc2C(=O)c2c1cccc2)c1ccc(N(CC)CC)cc1O
• Title of publication: A reusable multichannel anthraimidazoledione based receptor for Hg2+ and Cu2+ ions: Ultrasensitive, economical and facile detection of Hg2+ in real water sources through fluorescence readout
• Authors of publication: Wani, Manzoor Ahmad; Thakur, Neha; Pandey, Mrituanjay D.; Pandey, Rampal
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 18
• Pages of publication: 10000 - 10008
• a: 7.977 ± 0.0012 Å
• b: 27.642 ± 0.004 Å
• c: 9.1543 ± 0.0013 Å
• α: 90°
• β: 107.212 ± 0.003°
• γ: 90°
• Cell volume: 1928.1 ± 0.5 ų
• Cell temperature: 255 K
• Ambient diffraction temperature: 255 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: 0.067393
• Residual factor for significantly intense reflections: 0.056083
• Weighted residual factors for all reflections included in the refinement: 0.178031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.20264
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No