Information card for entry 1502389

Structure parameters

• Formula: C17 H24 O4
• Calculated formula: C17 H24 O4
• SMILES: O=C1CCC[C@H]([C@@H]1CC=C)C12OC3(O[C@@H](C1)C[C@H](O3)C2)C.O=C1CCC[C@@H]([C@H]1CC=C)C12OC3(O[C@H](C1)C[C@@H](O3)C2)C
• Title of publication: Application of α-alkoxy bridgehead radical for coupling of oxygenated carbocycles.
• Authors of publication: Urabe, Daisuke; Yamaguchi, Hiroki; Inoue, Masayuki
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 18
• Pages of publication: 4778 - 4781
• a: 12.9716 ± 0.0009 Å
• b: 10.05307 ± 0.0001 Å
• c: 12.4057 ± 0.0002 Å
• α: 90°
• β: 114.727 ± 0.008°
• γ: 90°
• Cell volume: 1469.43 ± 0.14 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0372
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No