Information card for entry 7126147

Structure parameters

• Formula: C22 H21 N3 O2
• Calculated formula: C22 H21 N3 O2
• SMILES: O1Cc2ccccc2/N=N/c2c(cccc2)COCc2nc(cc(c2)C)C1
• Title of publication: Switching the recognition ability of a photoswitchable receptor towards phosphorylated anions.
• Authors of publication: Hossain, Munshi Sahid; Rahaman, Sk Atiur; Hatai, Joydev; Saha, Monochura; Bandyopadhyay, Subhajit
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 30
• Pages of publication: 4172 - 4175
• a: 14.2375 ± 0.001 Å
• b: 4.3802 ± 0.0003 Å
• c: 15.0293 ± 0.0014 Å
• α: 90°
• β: 104.466 ± 0.009°
• γ: 90°
• Cell volume: 907.56 ± 0.13 ų
• Cell temperature: 100.03 ± 0.11 K
• Ambient diffraction temperature: 100.03 ± 0.11 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No