Information card for entry 7105121

Structure parameters

• Formula: C19 H22 O7
• Calculated formula: C19 H22 O7
• SMILES: O1[C@]23[C@]4(CC[C@H](C(=O)C4)C2)[C@@]2([C@H]1C(OC)(OC)CC(=C)C2=O)COC3=O.O1[C@@]23[C@@]4(CC[C@@H](C(=O)C4)C2)[C@]2([C@@H]1C(OC)(OC)CC(=C)C2=O)COC3=O
• 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: 13.838 ± 0.003 Å
• b: 7.0826 ± 0.0014 Å
• c: 17.443 ± 0.004 Å
• α: 90°
• β: 108.23 ± 0.03°
• γ: 90°
• Cell volume: 1623.7 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No