Information card for entry 2238646

Structure parameters

• Chemical name: 6-Methoxy-4-(2,4,5-trimethoxyphenyl)-2,2'-bipyridine-5-carbonitrile
• Formula: C21 H19 N3 O4
• Calculated formula: C21 H19 N3 O4
• SMILES: N#Cc1c(OC)nc(cc1c1cc(OC)c(cc1OC)OC)c1ccccn1
• Title of publication: 6-Methoxy-4-(2,4,5-trimethoxyphenyl)-2,2'-bipyridine-5-carbonitrile
• Authors of publication: Chantrapromma, Suchada; Suwunwong, Thitipone; Ruanwas, Pumsak; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1500 - o1501
• a: 14.9967 ± 0.0003 Å
• b: 7.4039 ± 0.0002 Å
• c: 17.5795 ± 0.0004 Å
• α: 90°
• β: 114.08 ± 0.001°
• γ: 90°
• Cell volume: 1782.06 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0501
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No