Information card for entry 2234158

Structure parameters

• Chemical name: 5-Chlorospiro[indoline-3,7'-6<i>H</i>,7<i>H</i>,8<i>H</i>-pyrano[3,2- <i>c</i>:5,6-<i>c</i>']di[1]benzopyran]-2,6',8'-trione
• Formula: C26 H12 Cl N O6
• Calculated formula: C26 H12 Cl N O6
• SMILES: c12c3ccccc3oc(=O)c1C1(c3c(=O)oc4ccccc4c3O2)c2c(ccc(c2)Cl)NC1=O
• Title of publication: 5-Chlorospiro[indoline-3,7'-6<i>H</i>,7<i>H</i>,8<i>H</i>-pyrano[3,2-<i>c</i>:5,6-<i>c</i>']di[1]benzopyran]-2,6',8'-trione
• Authors of publication: Almansour, Abdulrahman I.; Kumar, Raju Suresh; Arumugam, Natarajan; Kanagalaksmi, S.; Suresh, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1172
• a: 16.191 ± 0.0003 Å
• b: 12.9931 ± 0.0003 Å
• c: 20.8743 ± 0.0004 Å
• α: 90°
• β: 109.091 ± 0.001°
• γ: 90°
• Cell volume: 4149.83 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1119
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes