Information card for entry 2311424

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-Dimethyl-[2-(2,2-diphenyl)-2-prop-2-ynyloxyacetoxy]ethylamine
• Formula: C21 H23 N O3
• Calculated formula: C21 H23 N O3
• Title of publication: Crystal structures of <i>N</i>,<i>N</i>-dimethyl-(2-(2,2-diphen-yl)-2-prop-2-yn-yloxy)acet-oxy)ethyl-amine and <i>N</i>,<i>N</i>-dimethyl-(2-(2,2-diphen-yl)-2-prop-2-yn-yl‒oxy)acet-oxy)ethyl-ammonium 2,4,6-tri-nitro-phenolate.
• Authors of publication: Shaibah, Mohammed A. E.; Yathirajan, Hemmige S.; Kumar, S. Madan; Byrappa, Kullaiah; Glidewell, Christopher
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 10
• Pages of publication: 1488 - 1492
• a: 9.2545 ± 0.0009 Å
• b: 21.7246 ± 0.0019 Å
• c: 9.4531 ± 0.0009 Å
• α: 90°
• β: 94.763 ± 0.009°
• γ: 90°
• Cell volume: 1894 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1288
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No