Information card for entry 1517084

Structure parameters

• Chemical name: (6aS,10aS)-1,3-dimethoxy-7,10a-dimethyl- 6a,9,10,10a-tetrahydro-6H-benzo[c]chromene
• Formula: C17 H22 O3
• Calculated formula: C17 H22 O3
• SMILES: O1c2c([C@]3(CCC=C([C@@H]3C1)C)C)c(OC)cc(OC)c2.O1c2c([C@@]3(CCC=C([C@H]3C1)C)C)c(OC)cc(OC)c2
• Title of publication: Mercuric triflate-catalyzed tandem cyclization leading to polycarbocycles.
• Authors of publication: Imagawa, Hiroshi; Iyenaga, Tomoaki; Nishizawa, Mugio
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 3
• Pages of publication: 451 - 453
• a: 7.286 ± 0.0004 Å
• b: 10.506 ± 0.0007 Å
• c: 10.585 ± 0.0009 Å
• α: 107.314 ± 0.003°
• β: 99.739 ± 0.003°
• γ: 102.947 ± 0.003°
• Cell volume: 729.25 ± 0.09 ų
• Cell temperature: 298 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: 0.0637
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No