Information card for entry 2204381

Structure parameters

• Chemical name: 4-{2-Methoxy-5-[3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)thiophen-2- yl]phenyl}morpholine
• Formula: C26 H31 N O5 S
• Calculated formula: C26 H31 N O5 S
• SMILES: s1c(c2cc(OC)c(OC)c(OC)c2)c(c(c1c1ccc(OC)c(N2CCOCC2)c1)C)C
• Title of publication: 4-{5-[3,4-Dimethyl-5-(3,4,5-trimethoxyphenyl)thiophen-2-yl]-2-methoxyphenyl}morpholine
• Authors of publication: Shi, Jixian; Hu, Qingping; Lei, Yingjie; Reiner, John
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1810 - o1811
• a: 11.434 ± 0.004 Å
• b: 7.82 ± 0.003 Å
• c: 27.782 ± 0.01 Å
• α: 90°
• β: 95.306 ± 0.006°
• γ: 90°
• Cell volume: 2473.5 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0934
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes