Information card for entry 2011094

Structure parameters

• Formula: C12 H15 N O
• Calculated formula: C12 H15 N O
• SMILES: O=C1N[C@@H]([C@@H]1C(C)C)c1ccccc1.O=C1N[C@H]([C@H]1C(C)C)c1ccccc1
• Title of publication: (3<i>R</i>*,4<i>R</i>*)-3-Isopropyl-4-phenylazetidin-2-one at 150K
• Authors of publication: Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 848 - 849
• a: 14.7505 ± 0.0009 Å
• b: 5.7579 ± 0.0003 Å
• c: 24.941 ± 0.002 Å
• α: 90°
• β: 104.358 ± 0.003°
• γ: 90°
• Cell volume: 2052.1 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No