Information card for entry 7218619

Structure parameters

• Formula: C18 H16 N2 O3
• Calculated formula: C18 H16 N2 O3
• SMILES: O=N(=O)c1cc(/C=C/C2=Nc3c(cccc3)C2(C)C)c(O)cc1
• Title of publication: Styrylcyanine-based ratiometric and tunable fluorescent pH sensors
• Authors of publication: Thottiparambil, Abhineeshbabu; Anil Kumar, P. R.; Chakkumkumarath, Lakshmi
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 99
• Pages of publication: 56063
• a: 16.299 ± 0.002 Å
• b: 5.7664 ± 0.0006 Å
• c: 16.537 ± 0.002 Å
• α: 90°
• β: 92.692 ± 0.005°
• γ: 90°
• Cell volume: 1552.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No