Information card for entry 1505931

Structure parameters

• Formula: C12 H11 Br N2 O2
• Calculated formula: C12 H11 Br N2 O2
• Title of publication: Highly regioselective transformation of alkenyl bromides into alpha-bromoaziridines and alpha-bromohydrazones.
• Authors of publication: Krasnova, Larissa B.; Yudin, Andrei K.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 2011 - 2014
• a: 7.8657 ± 0.0005 Å
• b: 9.0257 ± 0.0005 Å
• c: 9.668 ± 0.0006 Å
• α: 64.462 ± 0.004°
• β: 75.228 ± 0.003°
• γ: 74.537 ± 0.004°
• Cell volume: 589.1 ± 0.07 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No