Information card for entry 4036189

Structure parameters

• Formula: C4 H7 B F2 N2 O2
• Calculated formula: C4 H7 B F2 N2 O2
• SMILES: N(C1=[O][B](F)(F)ON=C1)(C)C
• Title of publication: BF3-Mediated cis-Selective Cycloaddition of O-Silyloxime with Alkenes.
• Authors of publication: Morita, Nobuyoshi; Kono, Rina; Fukui, Kenji; Miyazawa, Asuka; Masu, Hyuma; Azumaya, Isao; Ban, Shintaro; Hashimoto, Yoshimitsu; Okamoto, Iwao; Tamura, Osamu
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 9
• Pages of publication: 4797 - 4802
• a: 6.7266 ± 0.0009 Å
• b: 13.5479 ± 0.0019 Å
• c: 7.8299 ± 0.0011 Å
• α: 90°
• β: 105.259 ± 0.001°
• γ: 90°
• Cell volume: 688.39 ± 0.16 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No