Information card for entry 1507440

Structure parameters

• Formula: C14 H14 O2
• Calculated formula: C14 H14 O2
• SMILES: Oc1ccc2O[C@@H]3[C@H](c2c1)C(=C(C)C)C=C3.Oc1ccc2O[C@H]3[C@@H](c2c1)C(=C(C)C)C=C3
• Title of publication: Unprecedented Microwave Effects on the Cycloaddition of Fulvenes. A New Approach to the Construction of Polycyclic Ring Systems
• Authors of publication: Hong, Bor-Cherng; Shr, Yeong-Jou; Liao, Ju-Hsiou
• Journal of publication: Organic Letters
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 663
• a: 8.693 ± 0.003 Å
• b: 7.304 ± 0.001 Å
• c: 18.231 ± 0.005 Å
• α: 90°
• β: 102.64 ± 0.03°
• γ: 90°
• Cell volume: 1129.5 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No