Information card for entry 2009779

Structure parameters

• Chemical name: 2,2'-dimethoxydibenzyl
• Formula: C16 H18 O2
• Calculated formula: C16 H18 O2
• SMILES: COc1ccccc1CCc1ccccc1OC
• Title of publication: 2,2'-Dimethoxybibenzyl
• Authors of publication: Ross, Jennifer-Nicola; Wardell, James; Ferguson, George; Low, John N
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 976 - 977
• a: 7.149 ± 0.002 Å
• b: 12.1026 ± 0.0011 Å
• c: 7.8726 ± 0.0008 Å
• α: 90°
• β: 99.54 ± 0.02°
• γ: 90°
• Cell volume: 671.7 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.069
• Goodness-of-fit parameter for significantly intense reflections: 2.11
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No