Information card for entry 7118279

Structure parameters

• Chemical name: 5-(tert-butyl)-N,N-bis(2-hydroxyethyl)-2-hydroxyisophtalamide
• Formula: C16 H24 N2 O5
• Calculated formula: C16 H24 N2 O5
• Title of publication: A versatile water-soluble chelating and radical scavenging platform.
• Authors of publication: Eckshtain-Levi, Meital; Lavi, Ronit; Yufit, Dmitry S.; Daniel, Bareket; Green, Omer; Fleker, Ohad; Richman, Michal; Rahimipour, Shai; Gruzman, Arie; Benisvy, Laurent
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2350 - 2353
• a: 6.9693 ± 0.0002 Å
• b: 12.1404 ± 0.0003 Å
• c: 19.3065 ± 0.0005 Å
• α: 90°
• β: 90.623 ± 0.001°
• γ: 90°
• Cell volume: 1633.43 ± 0.07 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0811
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1856
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No