Information card for entry 7062045

Structure parameters

• Formula: C31 H23 N O3
• Calculated formula: C31 H23 N O3
• SMILES: O(c1c(cc(cc1)c1ccccc1)c1cc(cc(c1O)C=O)c1ccccc1)Cc1ncccc1
• Title of publication: Zn(ii)-coordination-driven chiroptical and emissive sensing for chiral amines using a quaterphenyl-5′-carbaldehyde
• Authors of publication: Omasa, Koichiro; Ito, Masato; Kubo, Yuji
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 45
• Pages of publication: 21845 - 21851
• a: 10.7112 ± 0.0004 Å
• b: 7.8141 ± 0.0003 Å
• c: 27.003 ± 0.003 Å
• α: 90°
• β: 91.978 ± 0.005°
• γ: 90°
• Cell volume: 2258.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.063
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No