Information card for entry 2217430

Structure parameters

• Chemical name: 9-(dimethoxymethyl)anthracene
• Formula: C17 H16 O2
• Calculated formula: C17 H16 O2
• SMILES: c1(c2ccccc2cc2ccccc12)C(OC)OC
• Title of publication: 9-(Dimethoxymethyl)anthracene
• Authors of publication: Wang, Li; You, Wei; Huang, Wei; Jiang, Jue-Chao; Yao, Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o487 - o487
• a: 8.231 ± 0.0016 Å
• b: 17.446 ± 0.004 Å
• c: 19.261 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2765.8 ± 1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes