Information card for entry 2006852

Structure parameters

• Formula: C15 H10 Cl3 N O
• Calculated formula: C15 H10 Cl3 N O
• SMILES: ClC1(Cl)C(=O)N(C1c1ccc(Cl)cc1)c1ccccc1
• Title of publication: 3,3-Dichloro-4-(4-chlorophenyl)-1-phenylazetidin-2-one
• Authors of publication: Ülkü, Dinçer; Ercan, Filiz; Güner, Vildan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1945 - 1947
• a: 5.8656 ± 0.0002 Å
• b: 14.0699 ± 0.0002 Å
• c: 17.8671 ± 0.0002 Å
• α: 90°
• β: 92.335 ± 0.004°
• γ: 90°
• Cell volume: 1473.32 ± 0.06 ų
• Cell temperature: 295 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.064
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No