Information card for entry 1545585

Structure parameters

• Chemical name: Methyl 4-methyl-2-oxo-3,4-dihydrodibenzo[<i>b</i>,<i>d</i>]furan-4a(2<i>H</i>)-carboxylate
• Formula: C15 H14 O4
• Calculated formula: C15 H14 O4
• SMILES: O=C1C=C2[C@](Oc3c2cccc3)([C@H](C1)C)C(=O)OC.O=C1C=C2[C@@](Oc3c2cccc3)([C@@H](C1)C)C(=O)OC
• Title of publication: Methyl 4-methyl-2-oxo-3,4-dihydrodibenzo[<i>b</i>,<i>d</i>]furan-4a(2<i>H</i>)-carboxylate
• Authors of publication: Jiang, Yidong; Wang, Yifeng
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 3
• Pages of publication: x170395
• a: 7.5629 ± 0.0019 Å
• b: 8.205 ± 0.002 Å
• c: 20.587 ± 0.005 Å
• α: 90°
• β: 91.147 ± 0.005°
• γ: 90°
• Cell volume: 1277.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0534
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes