Information card for entry 2003692

Structure parameters

• Formula: C11 H10 O5
• Calculated formula: C11 H10 O5
• SMILES: O=C1C=C[C@H]2O[C@@H]1[C@@H]1[C@H]3CO[C@H](O3)C(=O)[C@H]21
• Title of publication: Adducts from the Pyrolysis of Cellulose: (1α,2β,6β,7α)-3,8-Dioxatricyclo[5.3.1.1^2,6^]dodeca-4,9-diene-11,12-dione and (1<i>R</i>)-(1α,2β,3α,6α,8β,9α)-5,13,14-Trioxatetracyclo[7.3.1.1^3,6^.0^2,8^]tetradec-10-ene-7,12-dione
• Authors of publication: Gainsford, G. J.; Furneaux, R. H.; Mason, J. M.; Miller, I. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1369 - 1372
• a: 5.154 ± 0.002 Å
• b: 12.257 ± 0.008 Å
• c: 16.034 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1012.9 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0621
• Goodness-of-fit parameter for significantly intense reflections: 1.17
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No