Information card for entry 2108193

Structure parameters

• Formula: C6 H13 N O2
• Calculated formula: C6 H12.35 N O2
• Title of publication: On the stacking disorder of <small>DL</small>-norleucine
• Authors of publication: Czech, Christian; Glinnemann, Jürgen; Johansson, Kristoffer E.; Bolte, Michael; Schmidt, Martin U.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 6
• Pages of publication: 1075 - 1084
• a: 31.231 ± 0.0018 Å
• b: 4.7296 ± 0.0004 Å
• c: 9.8739 ± 0.0005 Å
• α: 90°
• β: 91.719 ± 0.005°
• γ: 90°
• Cell volume: 1457.82 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes