Information card for entry 7243795

Structure parameters

• Formula: C12 H18 N2 O5
• Calculated formula: C12 H18 N2 O5
• Title of publication: A highly selective pyridoxal-based chemosensor for the detection of Zn(ii) and application in live-cell imaging; X-ray crystallography of pyridoxal-TRIS Schiff-base Zn(ii) and Cu(ii) complexes
• Authors of publication: Hussain, Anwar; Mariappan, Kadarkaraisamy; Cork, Dawson C.; Lewandowski, Luke D.; Shrestha, Prem K.; Giri, Samiksha; Wang, Xuejun; Sykes, Andrew G.
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 54
• Pages of publication: 34181 - 34192
• a: 7.5493 ± 0.0003 Å
• b: 9.2659 ± 0.0003 Å
• c: 9.8603 ± 0.0003 Å
• α: 91.084 ± 0.002°
• β: 104.586 ± 0.001°
• γ: 109.587 ± 0.001°
• Cell volume: 624.83 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No