Information card for entry 2234016

Structure parameters

• Chemical name: 5-Fluoro-6'<i>H</i>,7'<i>H</i>,8'<i>H</i>-spiro[indoline-3,7'- pyrano[3,2-<i>c</i>:5,6-<i>c</i>']di-1-benzopyran]-2,6',8'-trione
• Formula: C26 H12 F N O6
• Calculated formula: C26 H12 F N O6
• SMILES: c12c(C3(c4c(c5c(cccc5)oc4=O)O2)c2cc(ccc2NC3=O)F)c(=O)oc2c1cccc2
• Title of publication: 5-Fluoro-6'<i>H</i>,7'<i>H</i>,8'<i>H</i>-spiro[indoline-3,7'-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; Devi Shree, P.; Suresh, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o744
• a: 7.8262 ± 0.0001 Å
• b: 10.9278 ± 0.0001 Å
• c: 12.4067 ± 0.0002 Å
• α: 113.374 ± 0.001°
• β: 94.922 ± 0.001°
• γ: 100.295 ± 0.001°
• Cell volume: 943.77 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes