Information card for entry 2009301

Structure parameters

• Chemical name: 4,5-Bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1H-imidazole
• Formula: C23 H19 N3 O4
• Calculated formula: C23 H19 N3 O4
• SMILES: O=N(=O)c1cc(ccc1)c1[nH]c(c(n1)c1ccc(cc1)OC)c1ccc(cc1)OC
• Title of publication: An ethyl acetate inclusion complex of 4,5-bis(4-methoxyphenyl)-2-(3-nitrophenyl)-1<i>H</i>-imidazole
• Authors of publication: Inouye, Yoshinobu; Shimokoshi, Shuko; Sakaino, Yoshiko
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2084 - 2087
• a: 8.896 ± 0.001 Å
• b: 26.771 ± 0.005 Å
• c: 9.209 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2193.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.225
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections: 0.213
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections: 0.95
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No