Information card for entry 7121247

Structure parameters

• Formula: C13 H15 F O2
• Calculated formula: C13 H15 F O2
• SMILES: Fc1cccc2c1C[C@H]1[C@H](C2)CO[C@@H]1OC.Fc1cccc2c1C[C@@H]1[C@@H](C2)CO[C@H]1OC
• Title of publication: Stereoselective synthesis of a Podophyllum lignan core by intramolecular reductive nickel-catalysis.
• Authors of publication: Xiao, Jian; Cong, Xiao-Wei; Yang, Gui-Zhen; Wang, Ya-Wen; Peng, Yu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 16
• Pages of publication: 2040 - 2043
• a: 7.467 ± 0.0016 Å
• b: 8.1131 ± 0.0016 Å
• c: 10.193 ± 0.002 Å
• α: 107.549 ± 0.019°
• β: 90.344 ± 0.018°
• γ: 106.555 ± 0.018°
• Cell volume: 561.5 ± 0.2 ų
• Cell temperature: 273.77 ± 0.1 K
• Ambient diffraction temperature: 273.77 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No