Information card for entry 2234428

Structure parameters

• Chemical name: 5-Methylspiro[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 chloroform hemisolvate
• Formula: C27.5 H15.5 N O6 cl1.5
• Calculated formula: C27 H15 N O6
• SMILES: O1c2c(C3(c4c(=O)oc5c(c14)cccc5)C(=O)Nc1c3cc(cc1)C)c(=O)oc1c2cccc1
• Title of publication: 5-Methylspiro[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 chloroform hemisolvate
• Authors of publication: Almansour, Abdulrahman I.; Kumar, Raju Suresh; Arumugam, Natarajan; Vishnupriya, R.; Suresh, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1194
• a: 9.9341 ± 0.0002 Å
• b: 19.1498 ± 0.0004 Å
• c: 12.8279 ± 0.0002 Å
• α: 90°
• β: 95.078 ± 0.001°
• γ: 90°
• Cell volume: 2430.75 ± 0.08 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: 0.0873
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes