Information card for entry 1512292

Structure parameters

• Formula: C17 H22 O
• Calculated formula: C17 H22 O
• SMILES: O=C1CC[C@@]2(C=C[C@]3([C@@H](CC=C(C=C3)C)[C@H]12)C)C.O=C1CC[C@]2(C=C[C@@]3([C@H](CC=C(C=C3)C)[C@@H]12)C)C
• Title of publication: Total synthesis of cyanthiwigins a, C, g, and h.
• Authors of publication: Wang, Cheng; Wang, Dan; Gao, Shuanhu
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 17
• Pages of publication: 4402 - 4405
• a: 7.3896 ± 0.0007 Å
• b: 9.5633 ± 0.0009 Å
• c: 11.71 ± 0.0011 Å
• α: 110.666 ± 0.003°
• β: 106.674 ± 0.003°
• γ: 95.546 ± 0.003°
• Cell volume: 723.42 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1083
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1889
• Weighted residual factors for all reflections included in the refinement: 0.2243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No