Information card for entry 7224098

Structure parameters

• Formula: C32 H23 N O2
• Calculated formula: C32 H23 N O2
• SMILES: O1c2c(/N=C/c3c(O)cccc3)cc3c(c2C=CC1(c1ccccc1)c1ccccc1)cccc3
• Title of publication: Synthesis of an optically switchable salicylaldimine substituted naphthopyran for selective and reversible Cu2+ recognition in aqueous solution
• Authors of publication: Sahoo, Priya Ranjan; Kumar, Satish
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 11.2751 ± 0.0019 Å
• b: 9.9438 ± 0.0019 Å
• c: 21.032 ± 0.004 Å
• α: 90°
• β: 97.306 ± 0.017°
• γ: 90°
• Cell volume: 2338.9 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1522
• Residual factor for significantly intense reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.1732
• Weighted residual factors for all reflections included in the refinement: 0.2178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No