Information card for entry 7213411

Structure parameters

• Formula: C20 H16 O4
• Calculated formula: C20 H16 O4
• Title of publication: Cycloaddition reactions of 2-oxo-2H-cyclohepta[b]furan derivatives with arylacetylenes and the di-π-methane rearrangement of homobarrelene derivatives
• Authors of publication: Nair, Vijay; Nandakumar, Mecheril Valsan; Anilkumar, Gopinathan Nair; Maliakal, Davis; Vairamani, Mariappanadar; Prabhakar, Sripadi; Rath, Nigam P.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 3795
• a: 7.4089 ± 0.0001 Å
• b: 10.5805 ± 0.0002 Å
• c: 20.2337 ± 0.0003 Å
• α: 90°
• β: 90.491 ± 0.001°
• γ: 90°
• Cell volume: 1586.06 ± 0.04 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 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 all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No