Information card for entry 2220712

Structure parameters

• Chemical name: 2,2-Dimethyl-5-triphenylmethyl-1,3-dioxane
• Formula: C25 H26 O2
• Calculated formula: C25 H26 O2
• SMILES: CC1(C)OCC(CO1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: 2,2-Dimethyl-5-triphenylmethyl-1,3-dioxane
• Authors of publication: Zhang, Min; Yuan, Xian-You; Liu, Xing-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o304
• a: 10.7252 ± 0.0018 Å
• b: 11.6933 ± 0.0019 Å
• c: 15.84 ± 0.003 Å
• α: 89.574 ± 0.003°
• β: 88.906 ± 0.003°
• γ: 86.427 ± 0.003°
• Cell volume: 1982.3 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes