Information card for entry 2228943

Structure parameters

• Chemical name: 4-Bromo-3-hydroxy-3-(4-hydroxy-2-oxo-2<i>H</i>-chromen-3-yl)indolin-2-one
• Formula: C17 H10 Br N O5
• Calculated formula: C17 H10 Br N O5
• SMILES: Brc1c2C(O)(C(=O)Nc2ccc1)c1c(=O)oc2c(c1O)cccc2
• Title of publication: 4-Bromo-3-hydroxy-3-(4-hydroxy-2-oxo-2<i>H</i>-chromen-3-yl)indolin-2-one
• Authors of publication: Zhu, Song-Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o307
• a: 11.358 ± 0.003 Å
• b: 13.428 ± 0.003 Å
• c: 10.36 ± 0.002 Å
• α: 90°
• β: 113.307 ± 0.003°
• γ: 90°
• Cell volume: 1451.1 ± 0.6 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: 0.0258
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes