Information card for entry 7704574

Structure parameters

• Formula: C21 H19 N2 O2
• Calculated formula: C21 H18 N2 O2
• SMILES: O=Cc1c(O)c(/C=N/c2c(Nc3ccccc3)cccc2)cc(c1)C
• Title of publication: A new half-condensed Schiff base platform: structures and sensing of Zn²⁺ and H₂PO₄^- ions in an aqueous medium.
• Authors of publication: Chakraborty, Sujaya; Lohar, Somenath; Dhara, Koushik; Ghosh, Raktim; Dam, Somasri; Zangrando, Ennio; Chattopadhyay, Pabitra
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 26
• Pages of publication: 8991 - 9001
• a: 16.0146 ± 0.0005 Å
• b: 7.3894 ± 0.0003 Å
• c: 14.6908 ± 0.0005 Å
• α: 90°
• β: 101.708 ± 0.002°
• γ: 90°
• Cell volume: 1702.31 ± 0.11 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No