Information card for entry 4516092

Structure parameters

• Formula: C21 H23 N3 O
• Calculated formula: C21 H23 N3 O
• SMILES: Oc1c(C2Nc3cccc4cccc(N2)c34)ccc(N(CC)CC)c1
• Title of publication: Ultrasensitive Colorimetric and Ratiometric Detection of Cu²⁺: Acid-Base Properties, Complexation, and Binding Studies.
• Authors of publication: Fanna, Daniel J.; Lima, Luís M P; Craze, Alexander R.; Trinchi, Adrian; Wuhrer, Richard; Lindoy, Leonard F.; Wei, Gang; Reynolds, Jason K.; Li, Feng
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 9
• Pages of publication: 10471 - 10480
• a: 25.524 ± 0.005 Å
• b: 13.835 ± 0.003 Å
• c: 9.914 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3500.9 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No