Information card for entry 2224311

Structure parameters

• Chemical name: 2-(3,4,5-Trimethoxyphenyl)-1<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine
• Formula: C16 H16 N2 O3
• Calculated formula: C16 H16 N2 O3
• SMILES: [nH]1c(cc2cccnc12)c1cc(c(c(c1)OC)OC)OC
• Title of publication: 2-(3,4,5-Trimethoxyphenyl)-1<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine
• Authors of publication: Selig, Roland; Schollmeyer, Dieter; Albrecht, Wolfgang; Laufer, Stefan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3097
• a: 7.6283 ± 0.0009 Å
• b: 10.1745 ± 0.0004 Å
• c: 18.604 ± 0.002 Å
• α: 90°
• β: 104.778 ± 0.006°
• γ: 90°
• Cell volume: 1396.2 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes