Information card for entry 1502356

Structure parameters

• Formula: C21 H18 N2 O3
• Calculated formula: C21 H18 N2 O3
• SMILES: c1(c(O)c(cc(c1)C)C=O)/C=N/c1c(OCc2ccccc2)cccn1
• Title of publication: A new half-condensed Schiff base compound: highly selective and sensitive pH-responsive fluorescent sensor.
• Authors of publication: Saha, Uday Chand; Dhara, Koushik; Chattopadhyay, Basab; Mandal, Sushil Kumar; Mondal, Swastik; Sen, Supriti; Mukherjee, Monika; van Smaalen, Sander; Chattopadhyay, Pabitra
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 4510 - 4513
• a: 6.6296 ± 0.0005 Å
• b: 11.8971 ± 0.0009 Å
• c: 23.4759 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1851.6 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P 21 c a
• Hall space group symbol: P -2ac 2a
• Residual factor for all reflections: 0.1861
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.2649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.514
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No