Information card for entry 8106780

Structure parameters

• Formula: C15 H19 Cl N2 O5
• Calculated formula: C15 H19 Cl N2 O5
• Title of publication: Crystal structure of 2-(ethoxycarbonyl)-2-(2-nitro-1-phenylethyl)-3-oxopyrrolidinium chloride, C15H19N2O5Cl
• Authors of publication: Bhatt, Nilay; Samipillai, Marivale; Das, Sukant Kishore; Kruger, Hendrik Gert; Govender, Thavendran; Maguire, Glenn E.M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 43 - 45
• a: 8.2232 ± 0.0009 Å
• b: 8.5833 ± 0.001 Å
• c: 12.5916 ± 0.0013 Å
• α: 101.45 ± 0.005°
• β: 100.713 ± 0.005°
• γ: 100.508 ± 0.004°
• Cell volume: 833.39 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No