Information card for entry 2224943

Structure parameters

• Chemical name: Ethyl 2-amino-7,7-dimethyl-2',5-dioxospiro[5,6,7,8- tetrahydro-4<i>H</i>-chromene-4,3'(2'<i>H</i>)-1<i>H</i>-indole]-3-carboxylate
• Formula: C21 H22 N2 O5
• Calculated formula: C21 H22 N2 O5
• SMILES: O1C2=C(C3(C(=C1N)C(=O)OCC)C(=O)Nc1ccccc31)C(=O)CC(C2)(C)C
• Title of publication: Ethyl 2-amino-7,7-dimethyl-2',5-dioxospiro[5,6,7,8-tetrahydro-4<i>H</i>-chromene-4,3'(2'<i>H</i>)-1<i>H</i>-indole]-3-carboxylate
• Authors of publication: Wang, Jing; Zhu, Song-Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o302
• a: 8.4298 ± 0.0014 Å
• b: 11.6791 ± 0.0017 Å
• c: 19.024 ± 0.003 Å
• α: 90°
• β: 99.136 ± 0.004°
• γ: 90°
• Cell volume: 1849.2 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes