Information card for entry 2018044

Structure parameters

• Chemical name: (1,4-Dioxan-2-yl)diphenylmethanol
• Formula: C17 H18 O3
• Calculated formula: C17 H18 O3
• SMILES: C(C1COCCO1)(c1ccccc1)(c1ccccc1)O
• Title of publication: Racemic (1,4-dioxan-2-yl)diphenylmethanol
• Authors of publication: Hsiao, Tomi; Buchanan, Robert M.; Mashuta, Mark S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o129 - o130
• a: 12.9108 ± 0.0008 Å
• b: 10.5408 ± 0.0005 Å
• c: 10.3022 ± 0.0007 Å
• α: 90°
• β: 94.016 ± 0.006°
• γ: 90°
• Cell volume: 1398.59 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0356
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes