Information card for entry 4022597

Structure parameters

• Common name: Compound 19
• Chemical name: 2,4,5,7-tetramethoxytriphenylene
• Formula: C22 H20 O4
• Calculated formula: C22 H20 O4
• SMILES: c1c(cc(c2c1c1ccccc1c1cc(cc(c21)OC)OC)OC)OC
• Title of publication: Controlling the Scholl Reaction
• Authors of publication: Benjamin T. King; Jiří Kroulík; Charles R. Robertson; Pawel Rempala; Cameron L. Hilton; Justin D. Korinek; Lisa M. Gortari
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 2279 - 2288
• a: 13.1978 ± 0.0004 Å
• b: 8.2816 ± 0.0002 Å
• c: 15.7125 ± 0.0005 Å
• α: 90°
• β: 96.601 ± 0.001°
• γ: 90°
• Cell volume: 1705.97 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.047
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No