Information card for entry 2237415

Structure parameters

• Chemical name: 5-(2,5-Dioxooxolan-3-yl)-8-methyl-3,3a,4,5-tetrahydro-1<i>H</i>- naphtho[1,2-<i>c</i>]furan-1,3-dione
• Formula: C17 H14 O6
• Calculated formula: C17 H14 O6
• SMILES: O1C(=O)[C@@H]2[C@H](C1=O)C[C@H](c1c2cc(cc1)C)[C@H]1CC(=O)OC1=O.O1C(=O)[C@H]2[C@@H](C1=O)C[C@@H](c1c2cc(cc1)C)[C@@H]1CC(=O)OC1=O
• Title of publication: 5-(2,5-Dioxooxolan-3-yl)-8-methyl-3,3a,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>c</i>]furan-1,3-dione
• Authors of publication: Guo, Y. Z.; Liu, J. G.; Yang, S. Y.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o226
• a: 6.6907 ± 0.0013 Å
• b: 9.166 ± 0.002 Å
• c: 11.839 ± 0.002 Å
• α: 78.628 ± 0.008°
• β: 78.352 ± 0.009°
• γ: 79.054 ± 0.009°
• Cell volume: 688.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0499
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes