Information card for entry 2238298

Structure parameters

• Chemical name: 8-Chloromethyl-5-(2,5-dioxooxolan-3-yl)-3,3a,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>c</i>]furan-1,3-dione
• Formula: C17 H13 Cl O6
• Calculated formula: C17 H13 Cl O6
• SMILES: ClCc1ccc2[C@@H]([C@H]3C(=O)OC(=O)C3)C[C@@H]3C(=O)OC(=O)[C@@H]3c2c1.ClCc1ccc2[C@H]([C@@H]3C(=O)OC(=O)C3)C[C@H]3C(=O)OC(=O)[C@H]3c2c1
• Title of publication: 8-Chloromethyl-5-(2,5-dioxooxolan-3-yl)-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.; Song, Y. Z.; Liu, J. G.; Yang, S. Y.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1031 - o1032
• a: 6.8988 ± 0.0015 Å
• b: 9.14 ± 0.002 Å
• c: 11.95 ± 0.003 Å
• α: 80.937 ± 0.009°
• β: 75.365 ± 0.008°
• γ: 79.614 ± 0.008°
• Cell volume: 712.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes