Information card for entry 2228194

Structure parameters

• Chemical name: 2-Ethyl-5-triphenylmethyl-1,3-dioxane
• Formula: C25 H26 O2
• Calculated formula: C25 H26 O2
• SMILES: O1CC(C(c2ccccc2)(c2ccccc2)c2ccccc2)COC1CC
• Title of publication: 2-Ethyl-5-triphenylmethyl-1,3-dioxane
• Authors of publication: Yuan, Lin; Shi, Jiang-Hua; Zhang, Min; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2582
• a: 10.5401 ± 0.0006 Å
• b: 13.355 ± 0.0008 Å
• c: 14.6044 ± 0.0008 Å
• α: 90°
• β: 110.523 ± 0.001°
• γ: 90°
• Cell volume: 1925.28 ± 0.19 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes