Information card for entry 7126148

Structure parameters

• Formula: C22 H23 Cl N3 O6.5
• Calculated formula: C22 H23 Cl N3 O6.5
• SMILES: Cl(=O)(=O)(=O)[O-].O1Cc2c(/N=N/c3c(COCc4[nH+]c(C1)cc(c4)C)cccc3)cccc2.O
• 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: 11.7556 ± 0.0009 Å
• b: 13.9168 ± 0.0008 Å
• c: 14.9786 ± 0.001 Å
• α: 97.472 ± 0.005°
• β: 106.582 ± 0.006°
• γ: 110.609 ± 0.006°
• Cell volume: 2124.5 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1201
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No