Information card for entry 1519179

Structure parameters

• Formula: C14 H24 Br N O2 Si
• Calculated formula: C14 H24 Br N O2 Si
• SMILES: Br[C@H]1[C@H]2[C@@H](C[C@@H]1O)[C@@](O[Si](C)(C)C(C)(C)C)(C2)C#N.Br[C@@H]1[C@@H]2[C@H](C[C@H]1O)[C@](O[Si](C)(C)C(C)(C)C)(C2)C#N
• Title of publication: 2-Bromo-3-hydroxy-6-cyano-6-(t-butyldimethylsiloxy)bicyclo(3.2.0)heptane
• Authors of publication: Roberts, S. M.; Hursthouse, Michael B.; Coles, Simon J.; Barkley, J. V.; Gregory, R. J. H.; Hibbs, D. E.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1997
• Pages of publication: 105
• a: 6.09 ± 0.001 Å
• b: 8.114 ± 0.002 Å
• c: 18.467 ± 0.004 Å
• α: 101.11 ± 0.03°
• β: 95.3 ± 0.03°
• γ: 106.29 ± 0.03°
• Cell volume: 849 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.0643
• Goodness-of-fit parameter for all reflections: 0.73
• Goodness-of-fit parameter for significantly intense reflections: 0.843
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No