Information card for entry 8106412

Structure parameters

• Formula: C10 H13 N O3
• Calculated formula: C10 H13 N O3
• Title of publication: Crystal structure of (R)-1-(2,3-dihydro-1H-pyrrolizin-5-yl)-2,3-dihydroxypropan-1-one, C10H13NO3
• Authors of publication: Tan, Jun-Jie; Liu, Xiao-Yu; Zhang, Jie; Chen, Xi; Li, Yi-Ming; Jiao, Bing-Hua
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 1
• Pages of publication: 7 - 8
• a: 11.8118 ± 0.0005 Å
• b: 4.9299 ± 0.0002 Å
• c: 16.5436 ± 0.0007 Å
• α: 90°
• β: 101.116 ± 0.002°
• γ: 90°
• Cell volume: 945.28 ± 0.07 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No