Information card for entry 7121836

Structure parameters

• Chemical name: 4of
• Formula: C14 H25 N O5
• Calculated formula: C14 H25 N O5
• Title of publication: Use of a benzyl ether as a traceless hydrogen donor in the anti-Markovnikov hydrofunctionalization of alkenes with xanthates.
• Authors of publication: Hayashi, Hirohito; Kaga, Atsushi; Wang, Bin; Gagosz, Fabien; Chiba, Shunsuke
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 54
• Pages of publication: 7535 - 7538
• a: 15.5057 ± 0.0008 Å
• b: 9.2475 ± 0.0005 Å
• c: 11.6104 ± 0.0005 Å
• α: 90°
• β: 108.886 ± 0.0017°
• γ: 90°
• Cell volume: 1575.17 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2154
• Weighted residual factors for all reflections included in the refinement: 0.2461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No