Information card for entry 2221164

Structure parameters

• Chemical name: <i>cis</i>-2,6-Dibenzylcyclohexanone
• Formula: C20 H22 O
• Calculated formula: C20 H22 O
• SMILES: O=C1[C@@H](CCC[C@@H]1Cc1ccccc1)Cc1ccccc1
• Title of publication: <i>cis</i>-2,6-Dibenzylcyclohexanone
• Authors of publication: Culver, John P.; Parkin, Sean; Crooks, Peter A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o551
• a: 30.1194 ± 0.0012 Å
• b: 5.565 ± 0.0002 Å
• c: 9.3048 ± 0.0005 Å
• α: 90°
• β: 98.276 ± 0.002°
• γ: 90°
• Cell volume: 1543.38 ± 0.12 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes