Information card for entry 4027328

Structure parameters

• Formula: C18 H24 O4
• Calculated formula: C18 H24 O4
• SMILES: [C@]12(C[C@@H]3C[C@H]2C=C3)C(=O)OC[C@@H]1[C@@H]1COC2(CCCCC2)O1
• Title of publication: Domino Ring-Opening Metathesis-Ring-Closing Metathesis of Bicyclo[2.2.2]octene Derivatives: Scope and Limitations
• Authors of publication: Sritama Bose; Manju Ghosh; Subrata Ghosh
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 6345 - 6350
• a: 10.855 ± 0.002 Å
• b: 6.9558 ± 0.0014 Å
• c: 20.812 ± 0.004 Å
• α: 90°
• β: 93.333 ± 0.004°
• γ: 90°
• Cell volume: 1568.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No