Information card for entry 4022535

Structure parameters

• Formula: C36 H38 B2 F8 O4 Se2
• Calculated formula: C18 H19 B F4 O2 Se
• SMILES: [Se+]1(C)c2ccccc2C(=O)[C@@H](C1)[C@@H](OC)c1ccccc1.F[B](F)(F)[F-].[Se+]1(C)c2ccccc2C(=O)[C@H](C1)[C@H](OC)c1ccccc1.F[B](F)(F)[F-]
• Title of publication: Chalcogeno-Morita-Baylis-Hillman Reaction of Enones with Acetals: Simple α-Alkoxyalkylation of Enones
• Authors of publication: Hironori Kinoshita; Takashi Osamura; Sayaka Kinoshita; Tatsunori Iwamura; Shin-ichi Watanabe; Tadashi Kataoka; Genzoh Tanabe; Osamu Muraoka
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 7532 - 7534
• a: 12.282 ± 0.002 Å
• b: 15.821 ± 0.002 Å
• c: 11.963 ± 0.002 Å
• α: 104.43 ± 0.01°
• β: 108.27 ± 0.01°
• γ: 101.63 ± 0.01°
• Cell volume: 2036.7 ± 0.6 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.926
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No