Information card for entry 7151033

Structure parameters

• Formula: C14 H24 O4
• Calculated formula: C14 H24 O4
• SMILES: [C@@H]1(C[C@@]2([C@@H]3[C@H]([C@H]([C@H]([C@@H]2O1)O)C)O3)CO)CCCC.[C@H]1(C[C@]2([C@H]3[C@@H]([C@@H]([C@@H]([C@H]2O1)O)C)O3)CO)CCCC
• Title of publication: Directed epoxidation of cyclohexa-1,4-dienes‒stereoselective formation of up to six contiguous stereogenic centres
• Authors of publication: Butters, Michael; Beetstra, Dirk J.; Elliott, Mark C.; Hill-Cousins, Joseph; Kariuki, Benson M.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 23
• Pages of publication: 4426 - 4434
• a: 6.308 ± 0.0002 Å
• b: 13.542 ± 0.0005 Å
• c: 17.59 ± 0.0007 Å
• α: 73.293 ± 0.002°
• β: 81.756 ± 0.002°
• γ: 79.108 ± 0.002°
• Cell volume: 1406.88 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1888
• Residual factor for significantly intense reflections: 0.1401
• Weighted residual factors for significantly intense reflections: 0.3427
• Weighted residual factors for all reflections included in the refinement: 0.3752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.26
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No