Information card for entry 7105125

Structure parameters

• Formula: C17 H18 O5
• Calculated formula: C17 H18 O5
• SMILES: O(c1cccc2O[C@]3([C@]4(CC(=O)[C@H](CC4)C3)c12)C(=O)OC)C.O(c1cccc2O[C@@]3([C@@]4(CC(=O)[C@@H](CC4)C3)c12)C(=O)OC)C
• Title of publication: Synthesis of functionalized maoecrystal V core structures.
• Authors of publication: Nicolaou, K C; Dong, Lin; Deng, Lujiang; Talbot, Adam C; Chen, David Y-K
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 46
• Journal issue: 1
• Pages of publication: 70 - 72
• a: 7.9585 ± 0.0016 Å
• b: 17.241 ± 0.003 Å
• c: 20.159 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2766 ± 1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No