Information card for entry 1542270

Structure parameters

• Formula: C16 H15 N3 O3
• Calculated formula: C16 H15 N3 O3
• SMILES: O(C)C(=O)c1ccccc1NN=Nc1ccc(C(=O)C)cc1
• Title of publication: Multivariate optimization, preconcentration and determination of mercury ions with (1-(p-acetyl phenyl)-3-(o-methyl benzoate)) triazene in aqueous samples using ICP-AES
• Authors of publication: Amiri, Nayereh; Rofouei, Mohammad K.; Ghasemi, Jahan B.
• Journal of publication: Anal. Methods
• Year of publication: 2016
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 1111
• a: 8.0689 ± 0.0016 Å
• b: 13.762 ± 0.003 Å
• c: 14.911 ± 0.005 Å
• α: 90°
• β: 115.54 ± 0.02°
• γ: 90°
• Cell volume: 1494 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1986
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 0.823
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No