Information card for entry 2003385

Structure parameters

• Formula: C13 H20 N2 O4
• Calculated formula: C13 H20 N2 O4
• Title of publication: (<i>S</i>)-({-})-3-(4-Phenyl-1-piperazinyl)-1,2-propanediol <i>N</i>,<i>N</i>'-Dioxide
• Authors of publication: Bombieri, G.; Del Pra, A.; Ayala, D. J.; Stradi, R.; Mantovanini, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 642 - 644
• a: 5.518 ± 0.001 Å
• b: 13.059 ± 0.005 Å
• c: 18.246 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1314.8 ± 0.6 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.033
• Goodness-of-fit parameter for significantly intense reflections: 0.59
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No