Information card for entry 7105126

Structure parameters

• Formula: C16 H18 O4
• Calculated formula: C16 H18 O4
• SMILES: O1[C@H]2CCCC(=O)[C@]32[C@@]24CC[C@H](C[C@@]14C(=O)C3)C(=O)C2.O1[C@@H]2CCCC(=O)[C@@]32[C@]24CC[C@@H](C[C@]14C(=O)C3)C(=O)C2
• 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: 6.7342 ± 0.0013 Å
• b: 8.6721 ± 0.0017 Å
• c: 11.458 ± 0.002 Å
• α: 102.25 ± 0.03°
• β: 98.41 ± 0.03°
• γ: 104.21 ± 0.03°
• Cell volume: 619.8 ± 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: 0.0388
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No