Information card for entry 1517521

Structure parameters

• Formula: C20 H15 N3 O
• Calculated formula: C20 H15 N3 O
• SMILES: c1(ccc2ccccc2c1/C=N/c1cc(c2ccccc2)[nH]n1)O
• Title of publication: A napthelene-pyrazol conjugate: Al(iii) ion-selective blue shifting chemosensor applicable as biomarker in aqueous solution.
• Authors of publication: Mukherjee, Manjira; Pal, Siddhartha; Lohar, Somenath; Sen, Buddhadeb; Sen, Supriti; Banerjee, Samya; Banerjee, Snehasis; Chattopadhyay, Pabitra
• Journal of publication: The Analyst
• Year of publication: 2014
• Journal volume: 139
• Journal issue: 19
• Pages of publication: 4828 - 4835
• a: 5.3994 ± 0.0012 Å
• b: 14.277 ± 0.004 Å
• c: 20.499 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1580.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2337
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1516973
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No