Information card for entry 7114720

Structure parameters

• Formula: C3 H6 Br Se0.5
• Calculated formula: C3 H6 Br Se0.25
• Title of publication: First chiral selenium ylides used for asymmetric conversion of aldehydes into epoxides
• Authors of publication: Takada, Hiroya; Metzner, Patrick; Philouze, Christian
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 22
• Pages of publication: 2350
• a: 9.009 ± 0.003 Å
• b: 9.009 ± 0.003 Å
• c: 12.21 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 991 ± 0.9 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections: 0.0358
• Weighted residual factors for all reflections included in the refinement: 0.0358
• Goodness-of-fit parameter for all reflections: 1.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No