Information card for entry 2204759

Structure parameters

• Chemical name: 2-Amino-4-(4-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile N,N-dimethylformamide solvate
• Formula: C23 H21 N3 O5
• Calculated formula: C23 H21 N3 O5
• SMILES: O1C(=C(C(c2c1c1c(oc2=O)cccc1)c1ccc(OC)cc1)C#N)N.O=CN(C)C
• Title of publication: 2-Amino-4-(4-methoxyphenyl)-5-oxo-4<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>]chromene-3-carbonitrile <i>N,N</i>-dimethylformamide solvate
• Authors of publication: Daqing Shi; Nan Wu; Qiya Zhuang; Yong Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2359 - o2361
• a: 12.472 ± 0.003 Å
• b: 13.003 ± 0.003 Å
• c: 13.62 ± 0.003 Å
• α: 99.799 ± 0.004°
• β: 95.399 ± 0.004°
• γ: 104.785 ± 0.005°
• Cell volume: 2082.5 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes