Information card for entry 4022599

Structure parameters

• Common name: Compound 23
• Chemical name: 2,2'',4'3,2'5-tetramethoxy-1,1',2'1'',5'',1'3,3'3,1'4,2'4,1'5-sexiphenyl
• Formula: C40 H34 O4
• Calculated formula: C40 H34 O4
• SMILES: c1(c(cccc1)OC)c1c(cccc1)c1c(ccc(c1)c1cc(c(cc1)OC)c1c(cccc1)c1c(cccc1)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: 9.9015 ± 0.0002 Å
• b: 11.0754 ± 0.0002 Å
• c: 14.8755 ± 0.0003 Å
• α: 110.807 ± 0.001°
• β: 98.424 ± 0.001°
• γ: 95.284 ± 0.001°
• Cell volume: 1490.01 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No