Information card for entry 2210330

Structure parameters

• Formula: C17 H28 O7
• Calculated formula: C17 H28 O7
• SMILES: [C@@H]12[C@@H](OC(O1)(CC)CC)C(=O)O[C@@H]2[C@H]([C@@H]1OC(OC1)(CC)CC)O
• Title of publication: 2,3:6,7-Di-<i>O</i>-diethylidene-<small>D</small>-<i>glycero</i>-<small>L</small>-<i>talo</i>-heptono-1,4-lactone
• Authors of publication: Håkansson, Anders E.; van Ameijde, Jeroen; Horne, Graeme; Guglielmini, Luisa; Nash, Robert J.; Fleet, George W.J.; Watkin, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3890 - o3892
• a: 6.7757 ± 0.0002 Å
• b: 27.7655 ± 0.0006 Å
• c: 14.8433 ± 0.0003 Å
• α: 90°
• β: 101.434 ± 0.0008°
• γ: 90°
• Cell volume: 2737.06 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections: 0.1127
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9689
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes