Information card for entry 4114751

Structure parameters

• Common name: (-)-terpestacin
• Formula: C25 H38 O4
• Calculated formula: C25 H38 O4
• SMILES: O[C@H]1CCC(=CCCC(=CC[C@]2([C@H](CC=C1C)C(=C(O)C2=O)[C@@H](CO)C)C)C)C
• Title of publication: Enantioselective Synthesis of (-)-Terpestacin and (-)-Fusaproliferin: Clarification of Optical Rotational Measurements and Absolute Configurational Assignments Establishes a Homochiral Structural Series
• Authors of publication: Andrew G. Myers; Michael Siu; Feng Ren
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 4230 - 4232
• a: 20.234 ± 0.007 Å
• b: 6.105 ± 0.002 Å
• c: 20.553 ± 0.008 Å
• α: 90°
• β: 109.701 ± 0.007°
• γ: 90°
• Cell volume: 2390.3 ± 1.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No