Information card for entry 1556194

Structure parameters

• Formula: C16 H20 O3
• Calculated formula: C16 H20 O3
• SMILES: c1(cc2c3c(c1)O[C@]1(C)CC[C@H](C(C)(C)O2)[C@H]3C1)O.c1(cc2c3c(c1)O[C@@]1(C)CC[C@@H](C(C)(C)O2)[C@@H]3C1)O
• Title of publication: Total syntheses of cannabicyclol, clusiacyclol A and B, iso-eriobrucinol A and B, and eriobrucinol.
• Authors of publication: Yeom, Hyun-Suk; Li, Hui; Tang, Yu; Hsung, Richard P.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 3130 - 3133
• a: 24.479 ± 0.003 Å
• b: 35.736 ± 0.004 Å
• c: 6.333 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5540 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No