Information card for entry 2218441

Structure parameters

• Chemical name: 2-Amino-4'-bromo-2',5-dioxo-4H,5H-pyrano[3,2-c]chromene-4-spiro-3'(2'H)- 1'H-indole-3-carbonitrile <i>N</i>,<i>N</i>-dimethylformamide solvate
• Formula: C23 H17 Br N4 O5
• Calculated formula: C23 H17 Br N4 O5
• SMILES: Brc1c2C3(C(=C(Oc4c3c(=O)oc3ccccc43)N)C#N)C(=O)Nc2ccc1.O=CN(C)C
• Title of publication: 2-Amino-4'-bromo-2',5-dioxo-4<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>]chromene-4-spiro-3'(2'<i>H</i>)-1'<i>H</i>-indole-3-carbonitrile <i>N</i>,<i>N</i>-dimethylformamide solvate
• Authors of publication: Zhu, Song-Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1162
• a: 17.004 ± 0.003 Å
• b: 9.0452 ± 0.0015 Å
• c: 14.415 ± 0.003 Å
• α: 90°
• β: 108.34 ± 0.003°
• γ: 90°
• Cell volume: 2104.5 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0349
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes