Information card for entry 1549670

Structure parameters

• Formula: C16 H16 N2 O4
• Calculated formula: C16 H16 N2 O4
• SMILES: Oc1cc(OC)ccc1/C=N/N=C/c1c(O)cc(OC)cc1
• Title of publication: Single sensors for multiple analytes employing fluorometric differentiation for Cr3+ and Al3+ in semi-aqueous medium with bio-activity and theoretical aspects
• Authors of publication: Dolai, Malay; Saha, Urmila; Das, Avijit Kumar; Suresh Kumar, Gopinatha
• Journal of publication: Analytical Methods
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 33
• Pages of publication: 4063
• a: 10.3695 ± 0.0013 Å
• b: 6.0922 ± 0.0008 Å
• c: 11.4055 ± 0.0015 Å
• α: 90°
• β: 98.355 ± 0.002°
• γ: 90°
• Cell volume: 712.87 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No