Information card for entry 4032138

Structure parameters

• Formula: C17 H20 O3
• Calculated formula: C17 H20 O3
• SMILES: O1c2cc(cc(O)c2[C@@H]2[C@@H]3[C@]1(CC[C@](C2=O)(C3)C)C)C.O1c2cc(cc(O)c2[C@H]2[C@H]3[C@@]1(CC[C@@](C2=O)(C3)C)C)C
• Title of publication: Total Syntheses of (±)-Rhodonoids A and B and C12-epi-Rhodonoid B.
• Authors of publication: Wu, Hao; Hsung, Richard P.; Tang, Yu
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 3
• Pages of publication: 1545 - 1551
• a: 17.976 ± 0.004 Å
• b: 8.7449 ± 0.0017 Å
• c: 18.806 ± 0.004 Å
• α: 90°
• β: 104.96 ± 0.03°
• γ: 90°
• Cell volume: 2856.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No