Information card for entry 4031815

Structure parameters

• Formula: C25 H34 O5
• Calculated formula: C25 H34 O5
• SMILES: O1C(OCC2(C1)[C@@H]1[C@]3([C@H]([C@H](OCc4ccccc4)OC3)C(=C)CC1)[C@@H](O)CC2)(C)C.O1C(OCC2(C1)[C@H]1[C@@]3([C@@H]([C@@H](OCc4ccccc4)OC3)C(=C)CC1)[C@H](O)CC2)(C)C
• Title of publication: Gold-Catalyzed Enantio- and Diastereoselective Syntheses of Left Fragments of Azadirachtin/Meliacarpin-Type Limonoids.
• Authors of publication: Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Gong, Jianxian; Luo, Tuoping; Yang, Zhen
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 3
• Pages of publication: 751 - 771
• a: 9.3611 ± 0.0003 Å
• b: 10.4294 ± 0.0004 Å
• c: 12.5882 ± 0.0009 Å
• α: 91.067 ± 0.006°
• β: 109.523 ± 0.008°
• γ: 106.48 ± 0.007°
• Cell volume: 1101.97 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0742
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No