Information card for entry 2004235

Structure parameters

• Formula: C18 H16 O5
• Calculated formula: C18 H16 O5
• SMILES: C=CC(c1c(OC(=O)C)c2ccc(=O)oc2c2c1occ2)(C)C
• Title of publication: 5-Acetoxy-6-(1,1-dimethyl-2-propenyl)-2<i>H</i>-furo[2,3-<i>h</i>][1]benzopyran-2-one
• Authors of publication: Magotra, D. K.; Gupta, V. K.; Rajnikant; Goswami, K. N.; Gupta, B. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2637 - 2639
• a: 9.238 ± 0.001 Å
• b: 10.959 ± 0.001 Å
• c: 15.168 ± 0.001 Å
• α: 90°
• β: 90.64 ± 0.01°
• γ: 90°
• Cell volume: 1535.5 ± 0.2 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.11
• Goodness-of-fit parameter for significantly intense reflections: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No