Information card for entry 7029455

Structure parameters

• Formula: C17 H23 Cl N2 O3
• Calculated formula: C17 H23 Cl N2 O3
• SMILES: Oc1c(ccc(N(CC)CC)c1)/C=[NH+]/c1c(O)cccc1.[Cl-].O
• Title of publication: A remarkable effect of N,N-diethylamino functionality on the optoelectronic properties of a salicylimine-based probe for Al(3+).
• Authors of publication: Neeraj,; Kumar, Ajit; Kumar, Virendra; Prajapati, Rahul; Asthana, Sharad Kumar; Upadhyay, K. K.; Zhao, Jianzhang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 15
• Pages of publication: 5831 - 5839
• a: 18.242 ± 0.005 Å
• b: 11.925 ± 0.005 Å
• c: 17.097 ± 0.005 Å
• α: 90 ± 0.005°
• β: 108.114 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3535 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1826
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No