Information card for entry 7051073

Structure parameters

• Formula: C20 H18 O2
• Calculated formula: C20 H18 O2
• SMILES: O(c1c(OC)cc(c(c1)c1ccccc1)c1ccccc1)C
• Title of publication: Synthesis of cyanodibenzo[1,4]dioxines and their derivatives by cyano-activated fluoro displacement reactions
• Authors of publication: Eastmond, Geoffrey C.; Paprotny, Jerzy; Steiner, Alexander; Swanson, Linda
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 379
• a: 8.6688 ± 0.0013 Å
• b: 9.4019 ± 0.001 Å
• c: 19.222 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1566.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No