Information card for entry 7033582

Structure parameters

• Formula: C17 H18 N4 O
• Calculated formula: C17 H18 N4 O
• SMILES: N(/N=C/C=C/c1ccc(N(C)C)cc1)C(=O)c1ncccc1
• Title of publication: A single probe to sense Al(iii) colorimetrically and Cd(ii) by turn-on fluorescence in physiological conditions and live cells, corroborated by X-ray crystallographic and theoretical studies.
• Authors of publication: Kar, Chirantan; Samanta, Soham; Goswami, Sudeep; Ramesh, Aiyagari; Das, Gopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 9
• Pages of publication: 4123 - 4132
• a: 5.9895 ± 0.0004 Å
• b: 14.7978 ± 0.0008 Å
• c: 17.8142 ± 0.0014 Å
• α: 90°
• β: 96.481 ± 0.006°
• γ: 90°
• Cell volume: 1568.81 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1564
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2489
• Weighted residual factors for all reflections included in the refinement: 0.318
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No