Information card for entry 1514649

Structure parameters

• Formula: C22 H28 O6
• Calculated formula: C22 H28 O6
• SMILES: O(c1cc(OC)c(OC)cc1[C@H]1CC[C@@H]1c1c(OC)cc(OC)c(OC)c1)C.O(c1cc(OC)c(OC)cc1[C@@H]1CC[C@H]1c1c(OC)cc(OC)c(OC)c1)C
• Title of publication: Synthesis of cyclobutane lignans via an organic single electron oxidant-electron relay system.
• Authors of publication: Riener, Michelle; Nicewicz, David A.
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 2625
• a: 5.0348 ± 0.0004 Å
• b: 14.3242 ± 0.0009 Å
• c: 15.1715 ± 0.001 Å
• α: 115.546 ± 0.005°
• β: 90.919 ± 0.006°
• γ: 98.363 ± 0.006°
• Cell volume: 972.89 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1219
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No