Information card for entry 2210906

Structure parameters

• Common name: 3-bromo-2-(methoxyethoxy)-2-phenyl-1-cyclohexanone oxime
• Chemical name: 3-Bromo-5-tert-butyl-2-(methoxyethoxy)-2-phenylcyclohexanone oxime
• Formula: C19 H28 Br N O3
• Calculated formula: C19 H28 Br N O3
• SMILES: Br[C@H]1[C@](C(=N\O)\C[C@@H](C1)C(C)(C)C)(c1ccccc1)OCCOC.Br[C@@H]1[C@@](C(=N\O)\C[C@H](C1)C(C)(C)C)(c1ccccc1)OCCOC.Br[C@@H]1[C@@](C(=N\O)\C[C@H](C1)C(C)(C)C)(c1ccccc1)OCCOC.Br[C@H]1[C@](C(=N\O)\C[C@@H](C1)C(C)(C)C)(c1ccccc1)OCCOC
• Title of publication: 3-Bromo-5-<i>tert</i>-butyl-2-(methoxyethoxy)-2-phenylcyclohexanone oxime
• Authors of publication: M. Periasamy; S. Athimoolam; A. Ponnuswamy; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5220 - o5222
• a: 12.296 ± 0.005 Å
• b: 12.635 ± 0.005 Å
• c: 14.067 ± 0.005 Å
• α: 91.085 ± 0.005°
• β: 109.57 ± 0.005°
• γ: 103.076 ± 0.005°
• Cell volume: 1995.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0781
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes