Information card for entry 7218699

Structure parameters

• Formula: C22 H16 N4 O2
• Calculated formula: C22 H16 N4 O2
• SMILES: O=N(=O)c1c(/C=C/C2Nc3ccccc3c3nc4ccccc4n23)cccc1
• Title of publication: A quinazoline derivative as quick-response red-shifted reporter for nanomolar Al3+ions and applicable to living cell staining
• Authors of publication: Chattopadhyay, Pabitra; Mukherjee, Manjira; Sen, Buddhadeb; Pal, Siddhartha; Banerjee, Samya; Lohar, Somenath
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 10.39 ± 0.005 Å
• b: 16.287 ± 0.005 Å
• c: 11.124 ± 0.005 Å
• α: 90 ± 0.005°
• β: 105.725 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1812 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1387
• Residual factor for significantly intense reflections: 0.1016
• Weighted residual factors for significantly intense reflections: 0.3116
• Weighted residual factors for all reflections included in the refinement: 0.3523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.404
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No