Information card for entry 1504096

Structure parameters

• Formula: C23 H34 O4
• Calculated formula: C23 H34 O4
• SMILES: C1CCCCC1[C@@H]1[C@H]([C@@](C)(C=C)OCc2ccc(cc2)OC)OC(C)(C)O1
• Title of publication: Synthesis of iriomoteolide-1a C13-C23 fragment via asymmetric conjugate addition and Julia-Kocienski coupling reaction.
• Authors of publication: Chin, Yen-Jin; Wang, Shun-Yi; Loh, Teck-Peng
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 16
• Pages of publication: 3674 - 3676
• a: 26.323 ± 0.002 Å
• b: 6.1374 ± 0.0006 Å
• c: 13.3377 ± 0.0011 Å
• α: 90°
• β: 96.461 ± 0.005°
• γ: 90°
• Cell volume: 2141.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0506
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No