Information card for entry 2215427

Structure parameters

• Chemical name: 2-Amino-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]- 3-carbonitrile N,N-dimethylformamide solvate
• Formula: C20 H20 N4 O4
• Calculated formula: C20 H20 N4 O4
• SMILES: O1C2=C(C3(C(=C1N)C#N)C(=O)Nc1ccccc31)C(=O)CCC2.O=CN(C)C
• Title of publication: 2-Amino-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indoline]-3-carbonitrile <i>N</i>,<i>N</i>-dimethylformamide solvate
• Authors of publication: Jing Wang; Song-Lei Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4190 - o4190
• a: 7.1833 ± 0.0014 Å
• b: 8.8173 ± 0.0018 Å
• c: 15.351 ± 0.003 Å
• α: 77.907 ± 0.013°
• β: 77.691 ± 0.013°
• γ: 81.392 ± 0.014°
• Cell volume: 923.2 ± 0.3 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: 0.0535
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes