Information card for entry 2204487

Structure parameters

• Chemical name: 2-Amino-6-methoxy-4-(4-methoxyphenyl)-9,10-dihydro-4H-benzo[f]chromene- 3-carbonitrile
• Formula: C22 H20 N2 O3
• Calculated formula: C22 H20 N2 O3
• SMILES: O1C2=C(c3c(CC2)ccc(OC)c3)C(C(=C1N)C#N)c1ccc(OC)cc1
• Title of publication: 2-Amino-6-methoxy-4-(4-methoxyphenyl)-9,10-dihydro-4<i>H</i>-benzo[<i>f</i>]chromene-3-carbonitrile
• Authors of publication: Yu, Chen-Xia; Shi, Da-Qing; Wang, Xiang-Shan; Zhuang, Qi-Ya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o1928 - o1930
• a: 10.267 ± 0.002 Å
• b: 7.011 ± 0.001 Å
• c: 26.352 ± 0.003 Å
• α: 90°
• β: 93.94 ± 0.01°
• γ: 90°
• Cell volume: 1892.4 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0765
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes