Information card for entry 7213390

Structure parameters

• Formula: C22.5 H19 Br O1.5
• Calculated formula: C22.5 H19 Br O1.5
• Title of publication: Catalytic cyclopropanation of electron deficient alkenes mediated by chiral and achiral sulfides: scope and limitations in reactions involving phenyldiazomethane and ethyl diazoacetate
• Authors of publication: Aggarwal, Varinder K.; Smith, Helen W.; Hynd, George; Jones, Ray V. H.; Fieldhouse, Robin; Spey, Sharon E.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 19
• Pages of publication: 3267
• a: 24.604 ± 0.008 Å
• b: 5.8049 ± 0.0018 Å
• c: 14.597 ± 0.004 Å
• α: 90°
• β: 111.784 ± 0.006°
• γ: 90°
• Cell volume: 1935.9 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No