Information card for entry 7105122

Structure parameters

• Formula: C17 H18 O5
• Calculated formula: C17 H18 O5
• SMILES: O(c1c2[C@]34CC(=O)[C@@H](C[C@@]4(Oc2ccc1)C(=O)OC)CC3)C.O(c1c2[C@@]34CC(=O)[C@H](C[C@]4(Oc2ccc1)C(=O)OC)CC3)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: 6.9635 ± 0.0014 Å
• b: 8.8693 ± 0.0018 Å
• c: 12.59 ± 0.003 Å
• α: 98.55 ± 0.03°
• β: 101.29 ± 0.03°
• γ: 105.65 ± 0.03°
• Cell volume: 717.3 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0943
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No