Information card for entry 2210420

Structure parameters

• Common name: 3H-furo[3,4-c]isochromene-1,5-dione
• Chemical name: 3H-furo[3,4-c]isochromene-1,5-dione
• Formula: C11 H6 O4
• Calculated formula: C11 H6 O4
• SMILES: c1cccc2c1c(=O)oc1c2C(=O)OC1
• Title of publication: 3<i>H</i>-Furo[3,4-<i>c</i>]isochromene-1,5-dione
• Authors of publication: Qadeer, Ghulam; Rama, Nasim Hasan; Hussain, Muhammad Tahir; Wong, Wai-Yeung
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4022 - o4023
• a: 7.9892 ± 0.0013 Å
• b: 8.0899 ± 0.0013 Å
• c: 8.2075 ± 0.0013 Å
• α: 67.089 ± 0.003°
• β: 83.871 ± 0.003°
• γ: 62.738 ± 0.003°
• Cell volume: 432.68 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes